7a-Hydroxypaxilline

Properties Image MNX_ID MNXM116168 reference chebi:217180 formula C27H33NO5 global charge 0 mol weight 451.563 InChIKey ROIDNUNHRGMTMG-SAMRHTEJSA-N InChI InChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1 SMILES CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=CC=CC=C65)[C@@]43C)C2=CC1=O MNX internals InChI (mnx) InChI=1/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1 SMILES (mnx) [CH3:1][C:23]([CH3:2])([C@@H:22]1[C:19](=[O:29])[CH:14]=[C:20]2[C@:26]3([OH:31])[CH2:10][CH2:9][C@H:15]4[CH2:13][C:17]5=[C:21]([C@:25]4([CH3:4])[C@@:24]3([CH3:3])[CH2:11][CH2:12][C@:27]2([OH:32])[O:33]1)[NH:28][C:18]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:16]51)[OH:30]

Parent-child relations graph

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