input word = C00032475

Metabolite InformationStructural formula
Name Vaticaside B
Formula C62H52O17
Mw 1068.32045024
CAS RN 341970-72-7
C_ID C00032475 ,
InChIKey RJWMEAZIMHXPHU-DKYSUFFTNA-N
InChICode InChI=1S/C62H52O17/c63-25-45-56(73)57(74)58(75)62(78-45)76-38-18-30(17-36(68)21-38)46-40-19-31(20-43(72)61(40)79-59(46)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(22-37(69)23-41(50)70)51-53-44(24-42(71)52(49)55(53)54)77-60(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 OC[C@H]1O[C@@H](Oc2cc(O)cc([C@H]3c4cc([C@@H]5c6c(O)cc7c8c6[C@@H]([C@@H](c6ccc(O)cc6)c6c(O)cc(O)cc6[C@@H]8[C@@H](c6ccc(O)cc6)O7)[C@H]5c5ccc(O)cc5)cc(O)c4O[C@@H]3c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeCotylelobium lanceolatum Ref.
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