input word = C00003390

Metabolite InformationStructural formula
Name Vernomygdin
Formula C19H24O7
Mw 364.15220312
CAS RN 21871-14-7
C_ID C00003390 ,
InChIKey XFUPYBHPEVBTJS-LFRGPINUNA-N
InChICode InChI=1S/C19H24O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,9,12-15,18,22H,3-5,7-8H2,1-2H3/b11-6-/t12-,13-,14+,15-,18+,19+/m0/s1
SMILES [C@@H]12CC/C/3=C/[C@H]4[C@H](C(=C)C(=O)O4)[C@H](C[C@@]1([C@@H](OC3)O)O2)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia amygdalina Ref.
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