3,3'-dihydroxyisorenieratene (CHEBI:210298)

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CHEBI:210298 - 3,3'-dihydroxyisorenieratene

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ChEBI ID	CHEBI:210298
ChEBI Name	3,3'-dihydroxyisorenieratene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H48O2
Net Charge	0
Average Mass	560.822
Monoisotopic Mass	560.36543
SMILES	CC(/C=C/C=C(C)/C=C/c1c(C)cc(O)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(O)c(C)c1C
InChI	InChI=1S/C40H48O2/c1-27(17-13-19-29(3)21-23-37-31(5)25-39(41)35(9)33(37)7)15-11-12-16-28(2)18-14-20-30(4)22-24-38-32(6)26-40(42)36(10)34(38)8/h11-26,41-42H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey	FWOPDDPAGBEMTG-QISQUURKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (5781524)

ChEBI Ontology

Outgoing Relation(s)
	3,3'-dihydroxyisorenieratene (CHEBI:210298) is a diterpenoid (CHEBI:23849)

IUPAC Name
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,3,6-trimethylphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3,5-trimethylphenol

Manual Xrefs	Databases
8523258	ChemSpider