Feedback

16alpha-hydroxygypsogenate

MNXM101474 is deprecated and here replaced by MNXM726012
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726012

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₀H₄₄O₆

charge

-2

mass

500.31489

reference

chebi:167134

InChIKey

NZUXOCGZXRCSGC-DRLBPWGQSA-L

InChI

InChI=1S/C30H46O6/c1-25(2)13-14-30(24(35)36)18(15-25)17-7-8-19-26(3)11-10-21(31)29(6,23(33)34)20(26)9-12-27(19,4)28(17,5)16-22(30)32/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/p-2/t18-,19+,20+,21-,22+,26+,27+,28+,29-,30+/m0/s1

SMILES

CC1(C)CC[C@@]2(C(=O)[O-])[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:167134 chebi:167134	16alpha-hydroxygypsogenate 16alpha-hydroxygypsogenate(2-)
metacyc.compound:CPD-9476 metacycM:CPD-9476 seed.compound:cpd25698 seedM:cpd25698	16-alpha-hydroxygypsogenate 16-alpha-hydroxygypsogenic acid
lipidmaps:LMPR0106150017 lipidmapsM:LMPR0106150017	16alpha-hydroxygypsogenic acidid 3beta,16alpha-dihydroxyolean-12-ene-23,28-dioic acid
CHEBI:71529 chebi:71529	16alpha-hydroxygypsogenic acid (3beta,16alpha)-3,16-dihydroxyolean-12-ene-23,28-dioic acid
seedM:M_cpd25698	secondary/obsolete/fantasy identifier