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 [C@@]1(CC[C@]2([C@@]3([C@H]1OC(=O)C)C(=C(C(=O)O3)COC)[C@H](C[C@@]2(C)OC(=O)C)OC(=O)C)O)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudolephantopus spicatus Ref.
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