input word = C00032474

Metabolite InformationStructural formula
Name Vaticaside A
Formula C48H42O14
Mw 842.25745605
CAS RN 341970-64-7
C_ID C00032474 ,
InChIKey RANYCRBQZGEUTN-DQUZUHMANA-N
InChICode InChI=1S/C48H42O14/c49-19-34-44(57)45(58)46(59)48(62-34)60-29-14-23(13-27(53)15-29)37-35(20-1-7-24(50)8-2-20)42-36(21-3-9-25(51)10-4-21)38-30(16-28(54)17-31(38)55)39-41-33(18-32(56)40(37)43(41)42)61-47(39)22-5-11-26(52)12-6-22/h1-18,34-37,39,42,44-59H,19H2/t34-,35+,36+,37+,39+,42-,44-,45+,46-,47-,48-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc([C@@H]3c4c(O)cc5c6c4[C@@H]([C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]6[C@@H](c4ccc(O)cc4)O5)[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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