input word = C00043803

Metabolite InformationStructural formula
Name Pauciflorol D
Formula C98H74O21
Mw 1586.47225943
CAS RN 717840-10-3
C_ID C00043803 ,
InChIKey QHJIRCBRECLORK-FGSQFLGPNA-N
InChICode InChI=1S/C98H74O21/c99-52-15-1-43(2-16-52)75-81-67(35-63(110)39-71(81)114)85(86(75)69-37-65(112)41-73-83(69)79(50-29-59(106)33-60(107)30-50)95(117-73)47-9-23-56(103)24-10-47)78(46-7-21-55(102)22-8-46)93-94(116)91-87(70-38-66(113)42-74-84(70)80(51-31-61(108)34-62(109)32-51)96(118-74)48-11-25-57(104)26-12-48)77(45-5-19-54(101)20-6-45)89-76(44-3-17-53(100)18-4-44)82-68(36-64(111)40-72(82)115)88-92(90(89)91)98(93)119-97(88)49-13-27-58(105)28-14-49/h1-42,75-80,85-89,95-97,99-116H/t75-,76-,77+,78+,79-,80+,85-,86-,87-,88-,89+,95-,96-,97+/m0/s1
SMILES Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(c([C@H](c5ccc(O)cc5)[C@@H]5c6cc(O)cc(O)c6[C@H](c6ccc(O)cc6)[C@H]5c5cc(O)cc6c5[C@@H](c5cc(O)cc(O)c5)[C@H](c5ccc(O)cc5)O6)c(O)c5c4[C@H]2[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@@H]3c2ccc(O)cc2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVatica pauciflora Ref.
zoom in