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gypsogenin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1378010

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₄₅O₄

charge

-1

mass

469.686

reference

chebi:140467

InChIKey

QMHCWDVPABYZMC-MYPRUECHSA-M

InChI

InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

SMILES

[CH3:1][C:25]1([CH3:2])[CH2:13][CH2:15][C@:30]2([C:24](=[O:33])[OH:34])[CH2:16][CH2:14][C@:28]3([CH3:5])[C:19](=[CH:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:3])[CH2:11][CH2:10][C@H:23]([OH:32])[C@@:27]([CH3:4])([CH:18]=[O:31])[C@@H:21]5[CH2:9][CH2:12][C@:29]43[CH3:6])[C@@H:20]2[CH2:17]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140467 chebi:140467	gypsogenin (3beta)-3-hydroxy-23-oxoolean-12-en-28-oate 3beta-hydroxy-23-oxoolean-12-en-28-oate gypsogenin(1-)
kegg.compound:C08950 keggC:C08950	Gypsogenin
seed.compound:cpd05846 seedM:cpd05846	Gypsogenin 3beta-hydroxy-23-oxoolean-12-en-28-oic acid Gypsophilasapogenin albasapogenin astrantiagenin D githagenin gypsogenin
CHEBI:5580 chebi:5580 lipidmaps:LMPR0106150010 lipidmapsM:LMPR0106150010	gypsogenin 3beta-hydroxy-23-oxoolean-12-en-28-oic acid Albsapogenin Astrantiagenin D Githagenin Gypsogenin Gypsophilasapogenin Gypsophilasaponin Saponin-gypsophila
keggC:M_C08950 seedM:M_cpd05846	secondary/obsolete/fantasy identifier