(+)-(5S,10S)-4′-hydroxymethylcyclozonarone (CHEBI:227579)

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CHEBI:227579 - (+)-(5S,10S)-4′-hydroxymethylcyclozonarone

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ChEBI ID	CHEBI:227579
ChEBI Name	(+)-(5S,10S)-4′-hydroxymethylcyclozonarone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H26O3
Net Charge	0
Average Mass	338.447
Monoisotopic Mass	338.18819
SMILES	CC1(C)CCC[C@]2(C)c3cc4c(cc3CC[C@@H]12)C(=O)C(CO)=CC4=O
InChI	InChI=1S/C22H26O3/c1-21(2)7-4-8-22(3)17-11-15-16(9-13(17)5-6-19(21)22)20(25)14(12-23)10-18(15)24/h9-11,19,23H,4-8,12H2,1-3H3/t19-,22+/m0/s1
InChIKey	FTPYFKFDSUGCPB-SIKLNZKXSA-N

Species of Metabolite	Component	Source	Comments
Phyllostictaspeciesnarum (ncbitaxon:143791)	-	PubMed (18247573)

ChEBI Ontology

Outgoing Relation(s)
	(+)-(5S,10S)-4′-hydroxymethylcyclozonarone (CHEBI:227579) is a diterpenoid (CHEBI:23849)

IUPAC Name
(4aS,12bS)-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrobenzo[a]anthracene-8,11-dione

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