CHEBI:198003 - Fusarielin 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 Fusarielin C
ChEBI ID CHEBI:198003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O3
Net Charge 0
Average Mass 386.576
Monoisotopic Mass 386.28210
InChI InChI=1S/C25H38O3/c1-7-15(2)23-17(4)11-19-13-25(6)22(28-25)12-21(19)20(23)10-8-9-16(3)24(27)18(5)14-26/h7-11,18-24,26-27H,12-14H2,1-6H3/b10-8+,15-7+,16-9+/t18-,19+,20-,21+,22-,23+,24+,25+/m0/s1
InChIKey GFWFAUYHNUGQAD-WGSAFBKBSA-N
SMILES O1[C@@]2(C[C@H]3C=C(C)[C@H]([C@H]([C@@H]3C[C@H]12)/C=C/C=C(/[C@@H](O)[C@H](CO)C)\C)/C(=C/C)/C)C
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: PubMed
ChEBI Ontology
Outgoing Fusarielin C (CHEBI:198003) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(2S,3S,4E,6E)-7-[(1aR,2aR,5R,6S,6aR,7aS)-5-[(E)-but-2-en-2-yl]-1a,4-dimethyl-2a,5,6,6a,7,7a-hexahydro-2H-naphtho[6,7-b]oxiren-6-yl]-2,4-dimethylhepta-4,6-diene-1,3-diol
Manual Xref Database
8493471 ChemSpider
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Last Modified
03 November 2023