input word = C00012124

Metabolite InformationStructural formula
Name Piptocarphin D
Formula C17H22O8
Mw 354.13146768
CAS RN 76215-51-5
C_ID C00012124 ,
InChIKey VXLRPFBAXXIUFB-WOQSCKTONA-N
InChICode InChI=1S/C17H22O8/c1-9(18)23-8-10-13-11(19)6-16(3,21)17(22)5-4-15(2,25-17)7-12(13)24-14(10)20/h7,11,19,21-22H,4-6,8H2,1-3H3/b12-7+/t11-,15-,16-,17+/m1/s1
SMILES CC(=O)OCC1=C2/C(=C[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePiptocarpha chontalensis Ref.
PlantaeAsteraceaeVernonia cinerea Ref.
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