CHEBI:202598 - 6-epi-ophiobolin 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 6-epi-ophiobolin C
ChEBI ID CHEBI:202598
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/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h7,9,15,17,19-21,23,28H,6,8,10-14H2,1-5H3/b18-9-/t17-,19?,20?,21-,23?,24+,25+/m0/s1
InChIKey PLWMYIADTRHIMY-BEWCXZENSA-N
SMILES O=C1C2C(=CCC3C([C@H](CCC=C(C)C)C)CC[C@@]3(C[C@@H]2[C@@](C1)(O)C)C)C=O
Metabolite of Species Details
Aspergillus stellatus (NCBI:txid1549217) See: DOI
ChEBI Ontology
Outgoing 6-epi-ophiobolin C (CHEBI:202598) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
(1R,3S,4R,8E)-4-hydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
Manual Xref Database
10480219 ChemSpider
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