(+)-(12E,2S,3S,4R,5R,9S,11S,15R)-15-cinnamoyloxy-lathyra-6(17),12-diene-3,5-diol-14-one

Properties Image MNX_ID MNXM100710 reference chebi:67703 formula C29H36O5 global charge 0 mol weight 464.602 InChIKey SXGKGXOUXRBQMQ-KIBXAYQRSA-N InChI InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1 SMILES C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/C4=CC=CC=C4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C MNX internals InChI (mnx) InChI=1/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1 SMILES (mnx) [CH2:1]=[C:17]1[CH2:11][CH2:13][C@H:21]2[C@@H:22](/[CH:15]=[C:18](\[CH3:2])[C:27](=[O:33])[C@@:29]3([O:34][C:23](/[CH:14]=[CH:12]/[C:20]4=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]4)=[O:30])[CH2:16][C@H:19]([CH3:3])[C@H:26]([OH:32])[C@@H:24]3[C@H:25]1[OH:31])[C:28]2([CH3:4])[CH3:5]

Parent-child relations graph

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