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xanthoaphin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4881

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₀H₂₅O₁₀

charge

-1

mass

545.14532

reference

chebi:77712

InChIKey

HNUPXDLGAHSVEQ-YSPTYUJLSA-M

InChI

InChI=1S/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-10(4)28(40-30)22(14)20)12(32)6-29(35,23(18)19)39-27(21)9(3)37-7/h7-10,27-28,33-36H,5-6H2,1-4H3/p-1/t7-,8-,9-,10-,27-,28-,29+,30+/m1/s1

SMILES

C[C@H]1O[C@H](C)[C@H]2O[C@@]3(O)CC(=O)c4c(O)c5c6c7c8c9c(c([O-])c1c2c9c3c47)C(=O)C[C@]8(O)O[C@@H]6[C@@H](C)O[C@@H]5C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77712 chebi:77712	xanthoaphin (1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,11a,14-trihydroxy-1,3,8,10-tetramethyl-6,13-dioxo-3,3a,5,6,8,10,10a,11a,12,13-decahydro-1H,4aH-2,4,9,11-tetraoxadibenzo[bc,kl]coronen-7-olate xanthoaphin(1-)
kegg.compound:C01863 keggC:C01863	Xanthoaphin Xanthoaphin fb
seed.compound:cpd01282 seedM:cpd01282	Xanthoaphin Xanthoaphin fb xanthoaphin
metacyc.compound:XANTHOAPHIN metacycM:XANTHOAPHIN	xanthoaphin
CHEBI:18073 chebi:18073	xanthoaphin (1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-1,3,3a,4a,5,8,10,10a,11a,12-decahydro-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione Xanthoaphin xanthoaphin-fb
chebi:10062 chebi:15320 chebi:27321 keggC:M_C01863 seedM:M_cpd01282	secondary/obsolete/fantasy identifier