input word = C00015888

Metabolite InformationStructural formula
Name Vaticaffinol
Formula C56H42O12
Mw 906.26762681
CAS RN 81344-96-9
C_ID C00015888 ,
InChIKey KXQWNDQYZPWZPI-AASDLZPONA-N
InChICode InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-50-40(20-36(64)24-44(50)68-55(53)27-5-13-31(59)14-6-27)52-46(26-3-11-30(58)12-4-26)48-38(18-34(62)22-42(48)66)54-49-39(51(45)52)19-35(63)23-43(49)67-56(54)28-7-15-32(60)16-8-28/h1-24,45-46,51-66H/t45-,46-,51-,52+,53-,54+,55+,56-/m1/s1
SMILES Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5c6c(cc(O)cc6[C@H]24)O[C@@H]5c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeStemonoporus canaliculatus Ref.
PlantaeDipterocarpaceaeStemonoporus cordifolius Ref.
PlantaeDipterocarpaceaeStemonoporus lancifolius Ref.
PlantaeDipterocarpaceaeVatica affinis Ref.
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