input word = C00031048

Metabolite InformationStructural formula
Name Plantagiolide B
(+)-Plantagiolide B
Formula C32H44O11
Mw 604.28836225
CAS RN 913263-85-1
C_ID C00031048 ,
InChIKey LIEJWRQNKMQXKO-TWVXOOQRNA-N
InChICode InChI=1S/C32H44O11/c1-12-7-20(42-29(37)16(12)11-33)13(2)24-19(36)8-17-23-18(9-22(30(17,24)5)39-14(3)34)31(6)27(40-15(4)35)25-21(41-25)10-32(31,38)28-26(23)43-28/h13,17-28,33,36,38H,7-11H2,1-6H3/t13-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28+,30?,31+,32+/m1/s1
SMILES [C@H]12[C@H](C[C@]3([C@]([C@H]1OC(=O)C)([C@@H]1[C@@H]([C@H]4[C@@H]3O4)[C@H]3[C@]([C@H](C1)OC(=O)C)([C@H]([C@H](C3)O)[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)C)C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaccaceaeTacca plantaginea (HANCE) Ref.
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