input word = C00044625

Metabolite InformationStructural formula
Name Chantriolide B
(+)-Chantriolide B
Formula C38H54O16
Mw 766.34118568
CAS RN 558470-60-3
C_ID C00044625 ,
InChIKey MAUWXIXDBHEPFC-LLGTUETMNA-N
InChICode InChI=1S/C38H54O16/c1-13-7-21(52-34(46)17(13)12-48-35-29(45)28(44)27(43)23(11-39)53-35)14(2)26-20(42)8-18-25-19(9-24(36(18,26)5)49-15(3)40)37(6)32(50-16(4)41)30-22(51-30)10-38(37,47)33-31(25)54-33/h14,18-33,35,39,42-45,47H,7-12H2,1-6H3/t14-,18+,19+,20+,21-,22+,23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33+,35-,36-,37+,38+/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@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaccaceaeTacca chantrieri Ref.
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OrganismTacca chantrieri
ReferenceYokosuka,J.Nat.Prod.,66,(2003),876