input word = C00020957

Metabolite InformationStructural formula
Name 3-O-Angeloylcarolenalone
Formula C20H26O6
Mw 362.17293856
CAS RN 79256-84-1
C_ID C00020957 ,
InChIKey QGKBLGPMOCXJCL-YEFCQCPHNA-N
InChICode InChI=1S/C20H26O6/c1-6-9(2)18(22)25-15-8-12-10(3)16(21)17-13(11(4)19(23)26-17)7-14(12)20(15,5)24/h6,11,13-15,17,24H,7-8H2,1-5H3/b9-6-/t11-,13+,14+,15+,17-,20-/m0/s1
SMILES C12=C(C(=O)[C@@H]3[C@H](C[C@H]1[C@]([C@@H](C2)OC(=O)/C(=C\C)/C)(C)O)[C@@H](C(=O)O3)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium autumnale Ref.
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