25-Cinnamoyl-vulgaroside

Properties Image MNX_ID MNXM117078 reference chebi:176068 formula C34H46O7 global charge 0 mol weight 566.735 InChIKey SXPHINZZVYORPV-VAWYXSNFSA-N InChI InChI=1S/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+ SMILES CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)C3=CC(=O)OC3OC(=O)/C=C/C3=CC=CC=C3)C(O)(CO)CCC21 MNX internals InChI (mnx) InChI=1/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+/t24?,25?,26?,27?,30?,32?,33?,34? SMILES (mnx) [CH3:1][C:31]1([CH3:2])[CH2:15][CH2:8][CH2:16][C:32]2([CH3:3])[CH:25]1[CH2:13][CH2:17][C:33]1([CH3:4])[CH:26]2[CH2:14][CH2:18][C:34]([CH2:21][OH:35])([OH:39])[CH:27]1[CH2:20][CH:24]([C:23]1=[CH:19][C:29](=[O:38])[O:41][CH:30]1[O:40][C:28](/[CH:12]=[CH:11]/[C:22]1=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]1)=[O:37])[OH:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0