methyl (4R,4aS)-7-[(5R,6R,10aS)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate (CHEBI:201117)

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CHEBI:201117 - methyl (4R,4aS)-7-[(5R,6R,10aS)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

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ChEBI ID	CHEBI:201117
ChEBI Name	methyl (4R,4aS)-7-[(5R,6R,10aS)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H30O14
Net Charge	0
Average Mass	638.578
Monoisotopic Mass	638.16356
SMILES	COC(=O)[C@]12Oc3cc(C)c(-c4ccc(O)c5c4O[C@@]4(C(=O)OC)C(=C5O)C(=O)C[C@@H](C)[C@H]4O)c(O)c3C(O)=C1C(=O)CC[C@H]2O
InChI	InChI=1S/C32H30O14/c1-11-10-17-21(26(39)22-15(34)7-8-18(36)31(22,45-17)29(41)43-3)24(37)19(11)13-5-6-14(33)20-25(38)23-16(35)9-12(2)28(40)32(23,30(42)44-4)46-27(13)20/h5-6,10,12,18,28,33,36-40H,7-9H2,1-4H3/t12-,18-,28-,31-,32+/m1/s1
InChIKey	RBOLEWXSTOYYEK-QJAVGOATSA-N

Species of Metabolite	Component	Source	Comments
Purpureocillium lilacinum (ncbitaxon:33203)	-	DOI (10.1515/znb-2016-0128)

ChEBI Ontology

Outgoing Relation(s)
	methyl (4R,4aS)-7-[(5R,6R,10aS)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate (CHEBI:201117) is a xanthenes (CHEBI:38835)

IUPAC Name
methyl (4R,4aS)-7-[(5R,6R,10aS)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

Manual Xrefs	Databases
78436723	ChemSpider