input word = C00048533

Metabolite InformationStructural formula
Name Serjanic acid
Formula C31H48O5
Mw 500.35017464
CAS RN 25488-57-7
C_ID C00048533 ,
InChIKey BZXSGMYHHGCPEN-QSRRXREMNA-N
InChICode InChI=1S/C31H48O5/c1-26(2)21-10-13-30(6)22(28(21,4)12-11-23(26)32)9-8-19-20-18-27(3,25(35)36-7)14-16-31(20,24(33)34)17-15-29(19,30)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27-,28-,29+,30+,31-/m0/s1
SMILES COC(=O)C1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrasilia serjana Ref.
PlantaePutranjivaceaeDrypetes inaequalis Ref.
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