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 CC(=O)O[C@H]1C[C@H]2[C@@H]([C@@H]3O[C@@H]3[C@@]3(O)C[C@@H]4O[C@@H]4[C@H](OC(C)=O)[C@]23C)[C@@H]2C[C@H](O)[C@H]([C@H](C)[C@H]3CC(C)=C(CO)C(=O)O3)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaccaceaeTacca plantaginea (HANCE) Ref.
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OrganismTacca plantaginea (HANCE)
ReferenceLiu,Chem.Pharm.Bull.,54,(2006),992