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cytosporic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM104213

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

formula

C₂₂H₃₄O₆

charge

mass

394.23554

reference

chebi:65719

InChIKey

DHAUNSINPICAFU-DSGRLQPCSA-N

InChI

InChI=1S/C22H34O6/c1-5-6-7-13(3)17-20(26)19(25)14-10-12(2)11-15(21(27)28)18(14)22(17,4)16(24)8-9-23/h12-15,18,23,26H,5-11H2,1-4H3,(H,27,28)/t12-,13+,14+,15-,18-,22+/m0/s1

SMILES

CCCC[C@@H](C)C1=C(O)C(=O)[C@@H]2C[C@H](C)C[C@H](C(=O)O)[C@H]2[C@]1(C)C(=O)CCO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65719 chebi:65719	cytosporic acid (1S,3S,4aR,8S,8aS) 1,2,3,4,4a,5,8,8a-octahydro-6-hydroxy-8-(3-hydroxy-1-oxopropyl)-3,8-dimethyl-7-[(1R)-1-methylpentyl]-5-oxo-1-naphthalenecarboxylic acid (1S,3S,4aR,8S,8aS)-7-[(2R)-hexan-2-yl]-6-hydroxy-8-(3-hydroxypropanoyl)-3,8-dimethyl-5-oxo-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid