input word = C00034538

Metabolite InformationStructural formula
Name Hierapolitanin C
(+)-Hierapolitanin C
Formula C21H32O8
Mw 412.209718
CAS RN 934825-26-0
C_ID C00034538 ,
InChIKey XGBLAAVKNYADBQ-CHBUCHFVNA-N
InChICode InChI=1S/C21H32O8/c1-10(19(26)27)12-4-6-21(3)7-5-14(11(2)13(21)8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h12-18,20,22-25H,1-2,4-9H2,3H3,(H,26,27)/t12-,13+,14+,15-,16-,17+,18-,20-,21+/m1/s1
SMILES C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea hierapolitana Ref.
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