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soyasapogenol A

MNXM7778 is deprecated and here replaced by MNXM740198
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740198 Image of MNXM740198
referencechebi:62440
formulaC30H50O4
global charge0
mol weight474.726
InChIKeyCDDWAYFUFNQLRZ-KJVHGCRFSA-N
InChIInChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
SMILESCC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1 Image of MNXM740198
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:16][C@H:19]2[C:18]3=[CH:8][CH2:9][C@@H:21]4[C@@:27]5([CH3:4])[CH2:12][CH2:11][C@H:22]([OH:32])[C@:28]([CH3:5])([CH2:17][OH:31])[C@@H:20]5[CH2:10][CH2:13][C@@:30]4([CH3:7])[C@:29]3([CH3:6])[CH2:15][CH2:14][C@@:26]2([CH3:3])[C@H:24]([OH:34])[C@@H:23]1[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62440
chebi:62440
CDDWAYFUFNQLRZ-KJVHGCRFSA-N 		soyasapogenol A
(3beta,21beta,22beta)-olean-12-ene-3,21,22,24-tetrol
(3beta,4beta,21beta,22beta)-olean-12-ene-3,21,22,23-tetrol
3beta,21beta,22beta,24-tetrahydroxyolean-12-ene
soyasapogenol-A

kegg.compound:C17419
keggC:C17419
CDDWAYFUFNQLRZ-KJVHGCRFSA-N 		Soyasapogenol A

seed.compound:cpd17550
seedM:cpd17550
CDDWAYFUFNQLRZ-KJVHGCRFSA-N 		Soyasapogenol A
soyasapogenol A

metacyc.compound:CPD-13251
metacycM:CPD-13251
CDDWAYFUFNQLRZ-HAVOGERZSA-N 		soyasapogenol A

keggC:M_C17419
seedM:M_cpd17550 		secondary/obsolete/fantasy identifier