(1S,5R,7S)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione (CHEBI:125404)

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CHEBI:125404 - (1S,5R,7S)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione

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ChEBI ID	CHEBI:125404
ChEBI Name	(1S,5R,7S)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
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Formula	C38H50O6
Net Charge	0
Average Mass	602.812
Monoisotopic Mass	602.36074
SMILES	C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O
InChI	InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28-,31?,37-,38+/m0/s1
InChIKey	YESGFVCPMZHDNK-NVCNTAHISA-N

ChEBI Ontology

Outgoing Relation(s)
	(1S,5R,7S)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione (CHEBI:125404) is a aromatic ketone (CHEBI:76224)

Manual Xrefs	Databases
LSM-36889	LINCS