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Erinacine G

Properties

Image

Occurences in reactions

MNX_ID

MNXM125363

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

formula

C₂₅H₃₆O₈

charge

mass

464.24102

reference

chebi:175660

InChIKey

HVLLJUVTXKLMKW-PWEREOCZSA-N

InChI

InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3/t14-,16-,17?,19+,20?,21?,22-,23-,24?,25?/m1/s1

SMILES

CC(C)C(=O)CC[C@]1(C)CC[C@]2(C)[C@H](CC=C3C(O)C4(O)COC5O[C@H]2[C@@H]3C5(O)C4O)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175660 chebi:175660	Erinacine G (6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.04,17.06,16.07,12]nonadec-14-en-11-one
hmdb:HMDB0029655	Erinacine G 1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0⁴,¹⁷.0⁶,¹⁶.0⁷,¹²]nonadec-14-en-11-one Torachrysone 8-b-gentiobioside Torachrysone 8-beta-gentiobioside
hmdb:HMDB29655	secondary/obsolete/fantasy identifier