CHEBI:209873 - 7'-demethoxyrostratin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7'-demethoxyrostratin C
ChEBI ID CHEBI:209873
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H22N2O7S2
Net Charge 0
Average Mass 454.510
Monoisotopic Mass 454.08684
InChI InChI=1S/C19H22N2O7S2/c1-28-12-4-11(24)8-6-19-16(26)20-13-7(9(22)2-3-10(13)23)5-18(20,29-30-19)17(27)21(19)14(8)15(12)25/h7-8,10,12-15,23,25H,2-6H2,1H3/t7-,8-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKey DYPZSJAFJARDLC-FVCPCXLRSA-N
SMILES S1S[C@]23N([C@@H]4[C@@H](O)CCC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)[C@H](OC)CC([C@@H]6C5)=O)C3=O)=O
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7'-demethoxyrostratin C (CHEBI:209873) is a 2,5-diketopiperazines (CHEBI:65061)
7'-demethoxyrostratin C (CHEBI:209873) is a indoles (CHEBI:24828)
7'-demethoxyrostratin C (CHEBI:209873) is a organic disulfide (CHEBI:35489)
7'-demethoxyrostratin C (CHEBI:209873) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(1R,4S,5R,6R,9R,11R,14S,15S,19R)-5,15-dihydroxy-6-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Manual Xref Database
81424681 ChemSpider
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