input word = C00022580

Metabolite InformationStructural formula
Name 6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid
Formula C25H38O5
Mw 418.27192432
CAS RN 129350-06-7
C_ID C00022580 ,
InChIKey XCQRBNYBYVJECB-CHSYQFCENA-N
InChICode InChI=1S/C25H38O5/c1-8-16(3)23(29)30-22-21(28)18(5)24(6,13-12-15(2)14-20(26)27)19-11-9-10-17(4)25(19,22)7/h8,10,15,18-19,22H,9,11-14H2,1-7H3,(H,26,27)/b16-8-/t15-,18-,19-,22+,24-,25+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](C(=O)[C@@H]2OC(=O)/C(=C\C)/C)C)(CC[C@H](CC(=O)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia paniculata Ref.
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