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Cyclochlorotine

UUID fe0acd60-3ddc-11dd-ae24-0050c2490048
Deprecated yes
Replaced By fe0acd60-3ddc-11dd-ae25-0050c2490048
Flow Object IDfo-22fb5f62b5cecaf4
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 12663-46-6
prefLabel
Language Value Provenance
en Cyclochlorotine
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey BVRQNGBSIAKFAI-LDZHDPLISA-N
InChI InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-22(36)16(10-32)27-15(12-6-4-3-5-7-12)8-18(34)28-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)29-14/h3-7,13-17,19-20,27,32-33H,2,8-11H2,1H3,(H,28,34)(H,29,37)(H,30,35,36)/t13?,14-,15+,16-,17-,19?,20-/m0/s1
IUPAC name (3S,7R,9S,13S,16R)-17,18-bis(chloranyl)-13-ethyl-3,9-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,10,12,15-pentone, (3S,7R,9S,13S,16R)-17,18-dichloro-13-ethyl-3,9-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,10,12,15-pentone, (3S,7R,9S,13S,16R)-17,18-dichloro-13-ethyl-3,9-dimethylol-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,10,12,15-pentone
Molecular formula C24H31Cl2N5O7
Molecular mass 572.446
Monoisotopic mass 571.16005
SMILES CCC1C(=O)NC(=O)C(NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO, CC[C@H]1C(=O)NC(=O)[C@@H](N[C@H](CC(=O)N[C@H](C(=O)N2CC(C([C@H]2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO, [H][C@]12C(=O)N[C@@H](CC)C(=O)NC(=O)[C@H](CO)N[C@@H](c3ccccc3)CC(=O)N[C@@H](CO)C(=O)N1CC(Cl)C2Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-ae24-0050c2490048 cyclochlorotine

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
cas_match_labels 1 — consensus_match group_key=cyclochlorotine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'12663-46-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-22fb5f62b5cecaf4: {'12663-46-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'12663-46-6': 'exactMatch'} group_key=cyclochlorotine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'12663-46-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-22fb5f62b5cecaf4: {'12663-46-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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