**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

prebassianin A

Properties Image MNX_ID MNXM1368243 reference seedM:cpd31998 formula C23H26NO4 global charge -1 mol weight 380.464 InChIKey HXKIGJBVAYEOHS-UHFFFAOYSA-M InChI InChI=1S/C23H27NO4/c1-4-15(2)13-16(3)7-5-6-8-20(26)21-22(27)19(24-23(21)28)14-17-9-11-18(25)12-10-17/h5-13,15,19,25,27H,4,14H2,1-3H3,(H,24,28)/p-1 SMILES CCC(C)C=C(C)C=CC=CC(=O)C1=C([O-])C(CC2=CC=C(O)C=C2)NC1=O MNX internals InChI (mnx) InChI=1/C23H27NO4/c1-4-15(2)13-16(3)7-5-6-8-20(26)21-22(27)19(24-23(21)28)14-17-9-11-18(25)12-10-17/h5-13,15,19,25,27H,4,14H2,1-3H3,(H,24,28)/b7-5?,8-6?,16-13?/t15?,19? SMILES (mnx) [CH3:1][CH2:4][CH:15]([CH3:2])[CH:13]=[C:16]([CH3:3])[CH:7]=[CH:5][CH:6]=[CH:8][C:20]([C:21]1=[C:22]([OH:27])[CH:19]([CH2:14][C:17]2=[CH:10][CH:12]=[C:18]([OH:25])[CH:11]=[CH:9]2)[N:24]=[C:23]1[OH:28])=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd31998 seedM:cpd31998 HXKIGJBVAYEOHS-UHFFFAOYSA-M	prebassianin A
seedM:M_cpd31998	secondary/obsolete/fantasy identifier