input word = C00035783

Metabolite InformationStructural formula
Name 15-O-Isovaleroyl-3beta-O-acetyl-2alpha-hydroxyamphoricarpolide
Formula C22H30O7
Mw 406.19915331
CAS RN 791856-29-6
C_ID C00035783 ,
InChIKey VNJNELHGWJUJCI-HKKUDCAANA-N
InChICode InChI=1S/C22H30O7/c1-6-10(2)21(25)27-9-15-17-16(18(24)20(15)28-13(5)23)11(3)7-8-14-12(4)22(26)29-19(14)17/h10,14-20,24H,3-4,6-9H2,1-2,5H3/t10-,14+,15+,16+,17-,18-,19+,20-/m1/s1
SMILES [C@@H]12[C@H]3[C@H](C(=C)CC[C@H]1C(=C)C(=O)O2)[C@H]([C@@H]([C@H]3COC(=O)[C@H](C)CC)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmphoricarpos neumayeri Ref.
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OrganismAmphoricarpos neumayeri
ReferenceDjordjevic,Phytochem.,65,(2004),2337