input word = C00021962

Metabolite InformationStructural formula
Name Vernoeggersic acid
Formula C24H32O4
Mw 384.23005951
CAS RN 97510-41-3
C_ID C00021962 ,
InChIKey RKESRPSZPDKQRW-OZAXRZQCNA-N
InChICode InChI=1S/C24H32O4/c1-16(2)18-12-13-23(3)14-15-24(4,22(26)27)21(23)20(18)28-19(25)11-10-17-8-6-5-7-9-17/h5-11,16,18,20-21H,12-15H2,1-4H3,(H,26,27)/b11-10+/t18-,20+,21+,23-,24+/m0/s1
SMILES [C@H]1(CC[C@@]2([C@@H]([C@@H]1OC(=O)/C=C/c1ccccc1)[C@](CC2)(C)C(=O)O)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina eggersii Ref.
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