Roubetaoellol C (CHEBI:213427)

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CHEBI:213427 - Roubetaoellol C

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ChEBI ID	CHEBI:213427
ChEBI Name	Roubetaoellol C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28O5
Net Charge	0
Average Mass	348.439
Monoisotopic Mass	348.19367
SMILES	CC(CO)C1=CC[C@]2(C)C[C@H]3[C@@H](C)[C@H](O)[C@@]4(O)OC(=O)C(=CC[C@@H]12)[C@@H]34
InChI	InChI=1S/C20H28O5/c1-10(9-21)12-6-7-19(3)8-14-11(2)17(22)20(24)16(14)13(18(23)25-20)4-5-15(12)19/h4,6,10-11,14-17,21-22,24H,5,7-9H2,1-3H3/t10?,11-,14+,15+,16+,17+,19-,20+/m1/s1
InChIKey	VVHAZGQJJARDLE-KXPHNLTQSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces purpureogenus (ncbitaxon:1266744)	-	PubMed (29724060)

ChEBI Ontology

Outgoing Relation(s)
	Roubetaoellol C (CHEBI:213427) is a γ-lactone (CHEBI:37581)

IUPAC Name
(1S,3S,7R,13S,14S,15R,16R)-13,14-dihydroxy-6-(1-hydroxypropan-2-yl)-3,15-dimethyl-12-oxatetracyclo[8.5.1.03,7.013,16]hexadeca-5,9-dien-11-one