input word = C00002873

Metabolite InformationStructural formula
Name Canaliculatol
[2R-(2alpha,2aalpha,7alpha,7aalpha,12alpha,12abeta)]-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)-benz[7,8]indeno[2',1':4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol
Formula C42H32O9
Mw 680.20463262
CAS RN 114488-83-4
C_ID C00002873 ,
InChIKey UXHSAOFTHSNXMK-XGMVONBMNA-N
InChICode InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35-,39+,40-,41-,42+/m1/s1
SMILES c12c([C@H]([C@H]3[C@H](c4c5[C@@H]1[C@@H](Oc5cc(c4)O)c1ccc(cc1)O)[C@@H](c1c3cc(cc1O)O)c1ccc(cc1)O)c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeStemonoporus canaliculatus Ref.
zoom in