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Symphytine

UUID fe0acd60-3ddc-11dd-a213-0050c2490048
Deprecated yes
Replaced By fe0acd60-3ddc-11dd-a212-0050c2490048
Flow Object IDfo-6a084a46511d323b
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 22571-95-5
prefLabel
Language Value Provenance
en Symphytine
altLabel ⓘ
Language Value Provenance
en (1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate
en 7-Tiglyl-9-(-)-viridiflorylretronecine
en 7-Tiglylretronecine viridiflorate
en 2-Butenoic acid, 2-methyl-, (1<em>R</em>,7a<em>R</em>)-7-[[(2<em>S</em>,3<em>S</em>)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, (2<em>E</em>)-
en 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, [1<em>R</em>-[1α(<em>E</em>),7(2<em>S</em>*,3<em>S</em>*),7aβ]]-
en 7-Tiglyl-9-viridiflorylretronecine
Definitions
Language Value Provenance
en A but-2-enoate ester obtained by formal condensation of the carboxy group of (2E)-2-methylbut-2-enoic acid with the 1-hydroxy group of (1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey MVWPTZQHBOWRTF-SMLWLWDZSA-N
InChI InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1
IUPAC name (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butyric acid [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester, (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid [(7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester, [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate, [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate, [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate
Molecular formula C20H31NO6
Molecular mass 381.469
Monoisotopic mass 381.21514
SMILES C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O, CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O, [H][C@]12C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)=CCN1CC[C@H]2OC(=O)/C(C)=C/C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-a213-0050c2490048 symphytine

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=symphytine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=22571-95-5; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 2-methyl-, (1<em>R</em>,7a<em>R</em>)-7-[[(2<em>S</em>,3<em>S</em>)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, (2<em>E</em>)-, 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, [1<em>R</em>-[1α(<em>E</em>),7(2<em>S</em>*,3<em>S</em>*),7aβ]]-, 7-Tiglyl-9-viridiflorylretronecine; object_uuid=fo-6a084a46511d323b
cas_match_labels 1 — consensus_match group_key=symphytine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'22571-95-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a084a46511d323b: {'22571-95-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate', 'http://purl.obolibrary.org/obo/CHEBI_9375', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-Tiglyl-9-(-)-viridiflorylretronecine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-Tiglyl-9-(-)-viridiflorylretronecine', 'http://purl.obolibrary.org/obo/CHEBI_9375', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-Tiglylretronecine viridiflorate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-Tiglylretronecine viridiflorate', 'http://purl.obolibrary.org/obo/CHEBI_9375', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate', 'http://purl.obolibrary.org/obo/CHEBI_9375', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-Tiglyl-9-(-)-viridiflorylretronecine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-Tiglyl-9-(-)-viridiflorylretronecine', 'http://purl.obolibrary.org/obo/CHEBI_9375', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-Tiglylretronecine viridiflorate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-Tiglylretronecine viridiflorate', 'http://purl.obolibrary.org/obo/CHEBI_9375', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Butenoic acid, 2-methyl-, (1<em>R</em>,7a<em>R</em>)-7-[[(2<em>S</em>,3<em>S</em>)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, (2<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22571-95-5', 'https://commonchemistry.cas.org/detail?cas_rn=22571-95-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, [1<em>R</em>-[1α(<em>E</em>),7(2<em>S</em>*,3<em>S</em>*),7aβ]]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22571-95-5', 'https://commonchemistry.cas.org/detail?cas_rn=22571-95-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7-Tiglyl-9-viridiflorylretronecine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22571-95-5', 'https://commonchemistry.cas.org/detail?cas_rn=22571-95-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=symphytine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=22571-95-5; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 2-methyl-, (1<em>R</em>,7a<em>R</em>)-7-[[(2<em>S</em>,3<em>S</em>)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, (2<em>E</em>)-, 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1<em>H</em>-pyrrolizin-1-yl ester, [1<em>R</em>-[1α(<em>E</em>),7(2<em>S</em>*,3<em>S</em>*),7aβ]]-, 7-Tiglyl-9-viridiflorylretronecine; object_uuid=fo-6a084a46511d323b
cas_match_labels None {'22571-95-5': 'exactMatch'} group_key=symphytine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'22571-95-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a084a46511d323b: {'22571-95-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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