input word = C00058664

Metabolite InformationStructural formula
Name Picrajavanin A
Formula C36H40O10
Mw 632.2621475
CAS RN 155969-74-7
C_ID C00058664
InChIKey MNARXIYERMBYAA-HRZCSKOOSA-N
InChICode InChI=1S/C36H40O10/c1-18-13-26(44-33(39)20-9-7-6-8-10-20)32(38)36(4)22(18)15-27-35(3)23(16-28(37)45-27)19(2)29(41-5)30(31(35)36)46-34(40)21-11-12-24-25(14-21)43-17-42-24/h6-12,14,18-19,22-23,26-27,29-31H,13,15-17H2,1-5H3/t18-,19-,22+,23+,26+,27-,29+,30-,31+,35-,36+/m1/s1
SMILES CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](OC(=O)c5ccccc5)C(=O)[C@]4(C)[C@@H]([C@@H]1OC(=O)c1ccc4c(c1)OCO4)[C@@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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