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gypsogenate

MNXM105490 is deprecated and here replaced by MNXM726326
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726326

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₃₀H₄₄O₅

charge

-2

mass

484.31997

reference

chebi:140468

InChIKey

PAIBKVQNJKUVCE-JUENUIDLSA-L

InChI

InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/p-2/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1

SMILES

CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140468 chebi:140468	gypsogenate (3beta)-3-hydroxyolean-12-ene-23,28-dioate 3beta-hydroxyolean-12-ene-23,28-dioate gypsogenate(2-)
lipidmaps:LMPR0106150032 lipidmapsM:LMPR0106150032	Gypsogenic acid 3beta-hydroxyolean-12-ene-23,28-dioic acid
metacyc.compound:CPD-9474 metacycM:CPD-9474 seed.compound:cpd25696 seedM:cpd25696	gypsogenate gypsogenic acid
CHEBI:71531 chebi:71531	gypsogenic acid (3beta)-3-hydroxyolean-12-ene-23,28-dioic acid acanjapogenin G gypsogeninic acid
seedM:M_cpd25696	secondary/obsolete/fantasy identifier