(2E,4E)-2,4-Hexadienoic acid (1-oxo-6,6,9abeta-trimethyl-9balpha-hydroxy-1,3,5,5aalpha,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan)-5beta-yl ester (CHEBI:182643)

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CHEBI:182643 - (2E,4E)-2,4-Hexadienoic acid (1-oxo-6,6,9abeta-trimethyl-9balpha-hydroxy-1,3,5,5aalpha,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan)-5beta-yl ester

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ChEBI ID	CHEBI:182643
ChEBI Name	(2E,4E)-2,4-Hexadienoic acid (1-oxo-6,6,9abeta-trimethyl-9balpha-hydroxy-1,3,5,5aalpha,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan)-5beta-yl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28O5
Net Charge	0
Average Mass	360.450
Monoisotopic Mass	360.19367
SMILES	[H][C@@]12[C@H](OC(=O)/C=C/C=C/C)C=C3COC(=O)[C@]3(O)[C@@]1(C)CCCC2(C)C
InChI	InChI=1S/C21H28O5/c1-5-6-7-9-16(22)26-15-12-14-13-25-18(23)21(14,24)20(4)11-8-10-19(2,3)17(15)20/h5-7,9,12,15,17,24H,8,10-11,13H2,1-4H3/b6-5+,9-7+/t15-,17+,20+,21+/m1/s1
InChIKey	ZMZWVJLMOBCSEP-QRMXYISGSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2E,4E)-2,4-Hexadienoic acid (1-oxo-6,6,9abeta-trimethyl-9balpha-hydroxy-1,3,5,5aalpha,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan)-5beta-yl ester (CHEBI:182643) is a naphthofuran (CHEBI:39270)

IUPAC Name
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E)-hexa-2,4-dienoate

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