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Adynerin

PropertiesImage
MNX_IDMNXM40368 Image of MNXM40368
referencechebi:2497
formulaC30H44O7
global charge0
mol weight516.675
InChIKeyBYZQVAOKDQTHHP-QFUJVLJYSA-N
InChIInChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1
SMILESCO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC[C@H](C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1 Image of MNXM40368
SMILES (mnx)[CH3:1][C@@H:17]1[C@H:26]([OH:32])[C@H:22]([O:33][CH3:4])[CH2:15][C@H:25]([O:36][C@H:20]2[CH2:6][CH2:9][C@@:27]3([CH3:2])[C@H:19]([CH2:5][CH2:11][C@:29]45[C@@H:23]3[CH2:8][CH2:10][C@:28]3([CH3:3])[C@@H:21]([C:18]6=[CH:13][C:24](=[O:31])[O:34][CH2:16]6)[CH2:7][CH2:12][C@@:30]34[O:37]5)[CH2:14]2)[O:35]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

seed.compound:cpd05742
seedM:cpd05742
CHEBI:2497
chebi:2497
kegg.compound:C08845
keggC:C08845
BYZQVAOKDQTHHP-QFUJVLJYSA-N 		Adynerin
Adynerigenin 3-O-beta-D-diginoside

keggC:M_C08845
seedM:M_cpd05742 		secondary/obsolete/fantasy identifier