input word = C00007146

Metabolite InformationStructural formula
Name Isoschefflerin
Formula C27H32O5
Mw 436.22497413
CAS RN 128700-04-9
C_ID C00007146 ,
InChIKey INJTZOLDJOVMHP-RZQHRCJQNA-N
InChICode InChI=1S/C27H32O5/c1-16(2)11-13-19-17(3)12-14-20(23(19)18-9-7-6-8-10-18)25(29)24-21(28)15-22(31-4)27(32-5)26(24)30/h6-12,15,19-20,23,28,30H,13-14H2,1-5H3/t19-,20+,23+/m0/s1
SMILES COc1cc(O)c(C(=O)[C@@H]2CC=C(C)[C@H](CC=C(C)C)[C@H]2c2ccccc2)c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeUvaria scheffleri Ref.
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