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antiogenin

PropertiesImage
MNX_IDMNXM42280 Image of MNXM42280
referencechebi:38405
formulaC23H34O6
global charge0
mol weight406.519
InChIKeyULRMPWVHLRZNOY-CFVFHYIWSA-N
InChIInChI=1S/C23H34O6/c1-20-6-3-14(24)11-22(20,27)7-4-16-17(20)10-18(25)21(2)15(5-8-23(16,21)28)13-9-19(26)29-12-13/h9,14-18,24-25,27-28H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21-,22-,23-/m0/s1
SMILESC[C@]12[C@H](O)C[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
MNX internals
InChI (mnx)InChI=1/C23H34O6/c1-20-6-3-14(24)11-22(20,27)7-4-16-17(20)10-18(25)21(2)15(5-8-23(16,21)28)13-9-19(26)29-12-13/h9,14-18,24-25,27-28H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21-,22-,23-/m0/s1 Image of MNXM42280
SMILES (mnx)[CH3:1][C@:20]12[CH2:6][CH2:3][C@H:14]([OH:24])[CH2:11][C@@:22]1([OH:27])[CH2:7][CH2:4][C@@H:16]1[C@@H:17]2[CH2:10][C@@H:18]([OH:25])[C@:21]2([CH3:2])[C@@H:15]([C:13]3=[CH:9][C:19](=[O:26])[O:29][CH2:12]3)[CH2:5][CH2:8][C@:23]12[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:38405
chebi:38405
ULRMPWVHLRZNOY-CFVFHYIWSA-N 		antiogenin
3beta,5,12beta,14-tetrahydroxy-5beta-card-20(22)-enolide

lipidmaps:LMST01120007
lipidmapsM:LMST01120007
ULRMPWVHLRZNOY-CFVFHYIWSA-N 		antiogenin
3beta,5,12beta,14-tetrahydroxy-5beta-card-20(22)-enolide
O6
ST 23:3