input word = C00032476

Metabolite InformationStructural formula
Name Vaticaside C
Formula C62H52O17
Mw 1068.32045024
CAS RN 341970-78-3
C_ID C00032476 ,
InChIKey WFUXCNKDJDHZQF-DKYSUFFTNA-N
InChICode InChI=1S/C62H52O17/c63-25-45-56(73)57(74)58(75)62(78-45)77-44-20-31(19-40-46(30-17-36(68)21-37(69)18-30)59(79-61(40)44)28-5-13-34(66)14-6-28)49-47(26-1-9-32(64)10-2-26)54-48(27-3-11-33(65)12-4-27)50-39(22-38(70)23-41(50)71)51-53-43(24-42(72)52(49)55(53)54)76-60(51)29-7-15-35(67)16-8-29/h1-24,45-49,51,54,56-60,62-75H,25H2/t45-,46+,47+,48+,49+,51+,54-,56-,57+,58-,59+,60-,62-/m1/s1
SMILES c12c([C@@H]([C@@H]3c4c5[C@H]1[C@H](Oc5cc(c4[C@H]([C@@H]3c1ccc(cc1)O)c1cc3c(c(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]([C@H]3c1cc(cc(O)c1)O)c1ccc(cc1)O)O)c1ccc(cc1)O)c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeCotylelobium lanceolatum Ref.
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OrganismCotylelobium lanceolatum
ReferenceIto,Chem.Pharm.Bull.,54,(2006),363