input word = C00038161

Metabolite InformationStructural formula
Name 13-O-Methylvernojalcanolide 8-O-acetate
Formula C22H30O11
Mw 470.1788118
CAS RN 101528-18-1
C_ID C00038161 ,
InChIKey VQMMSXZZPVPGAY-ZFESLAIJNA-N
InChICode InChI=1S/C22H30O11/c1-11(23)30-15-9-20(5,32-13(3)25)21(28)8-7-19(4,27)18(31-12(2)24)22(21)16(15)14(10-29-6)17(26)33-22/h15,18,27-28H,7-10H2,1-6H3/t15-,18-,19+,20+,21-,22-/m0/s1
SMILES COCC1=C2[C@@H](OC(C)=O)C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](OC(C)=O)[C@@]23OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudolephantopus spicatus Ref.
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