input word = C00003734

Metabolite InformationStructural formula
Name Trichilin A
Formula C35H46O13
Mw 674.29384156
CAS RN 77182-69-5
C_ID C00003734 ,
InChIKey AYBKFVIPPCLFDH-QVJJRKDRNA-N
InChICode InChI=1S/C35H46O13/c1-8-15(2)29(42)47-30-31(5)20-12-21(38)33(7)25(34(20,14-44-30)27(41)24(45-16(3)36)28(31)46-17(4)37)23(39)26(40)32(6)19(18-9-10-43-13-18)11-22-35(32,33)48-22/h9-10,13,15,19-22,24-28,30,38,40-41H,8,11-12,14H2,1-7H3/t15-,19+,20+,21-,22-,24-,25+,26-,27+,28-,30+,31-,32-,33-,34+,35-/m1/s1
SMILES CC[C@@H](C)C(=O)O[C@@H]1OC[C@@]23[C@H]4C(=O)[C@@H](O)[C@@]5(C)[C@H](c6ccoc6)C[C@H]6O[C@]65[C@]4(C)[C@H](O)C[C@H]2[C@]1(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia roka Ref.
--family Meliaceae spp. Ref.
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