CP-412065 (CHEBI:215478)

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CHEBI:215478 - CP-412065

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ChEBI ID	CHEBI:215478
ChEBI Name	CP-412065
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H34O6
Net Charge	0
Average Mass	430.541
Monoisotopic Mass	430.23554
SMILES	CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@H]5O)[C@]3(C)CC[C@@]2(C)C=C1
InChI	InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3/t15-,17-,18-,19+,20+,21+,22-,23-,24-,25-/m1/s1
InChIKey	IFVVQPINBOCQHT-ZXYNKZASSA-N

Species of Metabolite	Component	Source	Comments
Hericium coralloides (ncbitaxon:100756)	-	PubMed (9918390)

ChEBI Ontology

Outgoing Relation(s)
	CP-412065 (CHEBI:215478) is a diterpenoid (CHEBI:23849)

IUPAC Name
(4R,9S,12R,13S,15S,18R,19S,20R,21R,22R)-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5,7-triene-18,19,20,22-tetrol

Manual Xrefs	Databases
78438613	ChemSpider