input word = C00037591

Metabolite InformationStructural formula
Name Pabularin A
(-)-Pabularin A
Formula C28H30O13
Mw 574.16864105
CAS RN 474777-00-9
C_ID C00037591 ,
InChIKey ISXGHEKJMRQGFQ-LQFASETNNA-N
InChICode InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20+,22-,23+,26-,27+/m1/s1
SMILES c12c(cc3c(c1OC[C@@H](C(C)(O)C)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c(=O)ccoc1C)ccc(=O)o3)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePrangos pabularia Ref.
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