input word = C00058670

Metabolite InformationStructural formula
Name Picrasin A
Formula C26H34O8
Mw 474.22536806
CAS RN 27368-79-2
C_ID C00058670
InChIKey BIJFTRIMTHYJOV-QRWZCSJESA-N
InChICode InChI=1S/C26H34O8/c1-12-6-16(32-5)23(31)25(3)14(12)8-18-26(4)17(9-20(29)34-18)24(2,10-15(27)21(25)26)22(30)13-7-19(28)33-11-13/h6,12-15,17-18,21,27H,7-11H2,1-5H3/t12-,13-,14+,15-,17+,18-,21-,24-,25+,26-/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4[C@@]3(C)[C@H]([C@H](O)C[C@@]4(C)C(=O)[C@H]3COC(=O)C3)[C@@]2(C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma ailanthoides Ref.
PlantaeSimaroubaceaePicrasma javanica Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
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