Ophiobolin U (CHEBI:210937)

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CHEBI:210937 - Ophiobolin U

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ChEBI ID	CHEBI:210937
ChEBI Name	Ophiobolin U
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38O3
Net Charge	0
Average Mass	386.576
Monoisotopic Mass	386.28210
SMILES	CC(C)=CC=C[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(C=O)=CC[C@@H]12)[C@H](O)C[C@@]3(C)O
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/h6-9,15,17,19-23,27-28H,10-14H2,1-5H3/t17-,19+,20-,21-,22+,23+,24+,25+/m0/s1
InChIKey	FOEYJNQZQGLUKQ-POGATTSMSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (24287995)

ChEBI Ontology

Outgoing Relation(s)
	Ophiobolin U (CHEBI:210937) is a sesterterpenoid (CHEBI:26660)

IUPAC Name
(1R,3S,4R,6R,7S,11S,12R)-4,6-dihydroxy-1,4-dimethyl-12-[(2S)-6-methylhepta-3,5-dien-2-yl]tricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde