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 c1(c(c2c3c4c1O[C@@H]([C@H]4c1c([C@@H]([C@@H]3[C@@H]([C@@H]2c2c3c(cc(c2)O)O[C@H]([C@@H]3c2cc(cc(c2)O)O)c2ccc(cc2)O)c2ccc(cc2)O)c2ccc(cc2)O)c(cc(c1)O)O)c1ccc(cc1)O)O)[C@@H]([C@H]1[C@H]([C@H](c2c1cc(cc2O)O)c1ccc(cc1)O)c1cc(cc2c1[C@@H]([C@@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVatica pauciflora Ref.
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OrganismVatica pauciflora
ReferenceIto,J.Nat.Prod.,67,(2004),932