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antioside

PropertiesImage
MNX_IDMNXM42281 Image of MNXM42281
referencechebi:28373
formulaC29H44O10
global charge0
mol weight552.661
InChIKeyVRDSLDHRGHMDAC-KDCJLTIJSA-N
InChIInChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)19-11-20(30)27(3)17(15-10-21(31)37-13-15)6-9-29(27,36)18(19)5-8-28(26,35)12-16/h10,14,16-20,22-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)19-11-20(30)27(3)17(15-10-21(31)37-13-15)6-9-29(27,36)18(19)5-8-28(26,35)12-16/h10,14,16-20,22-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 Image of MNXM42281
SMILES (mnx)[CH3:1][C@H:14]1[C@H:22]([OH:32])[C@@H:23]([OH:33])[C@@H:24]([OH:34])[C@H:25]([O:39][C@H:16]2[CH2:4][CH2:7][C@:26]3([CH3:2])[C@H:19]4[CH2:11][C@@H:20]([OH:30])[C@:27]5([CH3:3])[C@@H:17]([C:15]6=[CH:10][C:21](=[O:31])[O:37][CH2:13]6)[CH2:6][CH2:9][C@:29]5([OH:36])[C@@H:18]4[CH2:5][CH2:8][C@:28]3([OH:35])[CH2:12]2)[O:38]1
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:28373
chebi:28373
lipidmaps:LMST01120016
lipidmapsM:LMST01120016
VRDSLDHRGHMDAC-KDCJLTIJSA-N 		antioside
3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-5,12beta,14-trihydroxy-5beta-card-20(22)-enolide
Antiogenin 3-O-alpha-L-rhamnoside
Antioside

seed.compound:cpd05745
seedM:cpd05745
kegg.compound:C08848
keggC:C08848
VRDSLDHRGHMDAC-KDCJLTIJSA-N 		Antioside
Antiogenin 3-O-alpha-L-rhamnoside

chebi:22585
chebi:2763
keggC:M_C08848
seedM:M_cpd05745 		secondary/obsolete/fantasy identifier