input word = C00037593

Metabolite InformationStructural formula
Name Pabularin C
(-)-Pabularin C
Formula C28H30O13
Mw 574.16864105
CAS RN 474777-02-1
C_ID C00037593 ,
InChIKey RZBONLFRHIKGMF-XONWTWJANA-N
InChICode InChI=1S/C28H30O13/c1-13-23(16(30)7-9-35-13)40-27-26(22(34)21(33)18(11-29)38-27)41-28(2,3)19(31)12-37-25-15-6-8-36-17(15)10-14-4-5-20(32)39-24(14)25/h4-10,18-19,21-22,26-27,29,31,33-34H,11-12H2,1-3H3/t18-,19-,21-,22+,26-,27+/m1/s1
SMILES c12c(cc3c(c1OC[C@@H](O)C(O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c(=O)ccoc1C)(C)C)oc(=O)cc3)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePrangos pabularia Ref.
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