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soyasapogenol B

MNXM1856 is deprecated and here replaced by MNXM731989
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731989 Image of MNXM731989
referencechebi:9209
formulaC30H50O3
global charge0
mol weight458.727
InChIKeyYOQAQNKGFOLRGT-UXXABWCISA-N
InChIInChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
SMILESCC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1 Image of MNXM731989
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:16][C@H:20]2[C:19]3=[CH:8][CH2:9][C@@H:22]4[C@@:27]5([CH3:4])[CH2:12][CH2:11][C@H:23]([OH:32])[C@:28]([CH3:5])([CH2:18][OH:31])[C@@H:21]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:33])[CH2:17]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9209
chebi:9209
YOQAQNKGFOLRGT-UXXABWCISA-N 		soyasapogenol B
(3beta,22beta)-olean-12-ene-3,22,24-triol
24-hydroxysophoradiol
soyasapogenol-B
hmdb:HMDB0034648
YOQAQNKGFOLRGT-UXXABWCISA-N 		Soyasapogenol B
(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,9-diol
(3beta,4beta,22beta)-Olean-12-ene-3,22,23-triol
(3beta,4beta,22beta)-olean-12-ene-3,22,23-triol
24-Hydroxysophoradiol
3beta,22beta,24-Trihydroxyolean-12-ene
3beta,22beta,24-trihydroxyolean-12-ene
Olean-12-en-3beta,22beta,24-triol
Olean-12-ene-3beta,22beta,24-triol
Soyasapogenin b
Soyasapogenol I
Soyasapogenol-b
soyasapogenol B

seed.compound:cpd05876
seedM:cpd05876
YOQAQNKGFOLRGT-UXXABWCISA-N 		Soyasapogenol B
(3beta,22beta)-olean-12-ene-3,22,24-triol
24-Hydroxysophoradiol
24-hydroxysophoradiol
soyasapogenol B

kegg.compound:C08980
keggC:C08980
YOQAQNKGFOLRGT-UXXABWCISA-N 		Soyasapogenol B
24-Hydroxysophoradiol

metacyc.compound:CPD-7610
metacycM:CPD-7610
YOQAQNKGFOLRGT-FNBSVUNXSA-N 		soyasapogenol B
(3beta,22beta)-olean-12-ene-3,22,24-triol
24-hydroxysophoradiol

hmdb:HMDB34648
keggC:M_C08980
seedM:M_cpd05876 		secondary/obsolete/fantasy identifier