input word = C00041151

Metabolite InformationStructural formula
Name Taxchin B
Formula C41H52O14
Mw 768.33570637
CAS RN 162558-79-4
C_ID C00041151 ,
InChIKey BRKLRAVZNXASOZ-WUKNDPDINA-N
InChICode InChI=1S/C41H52O14/c1-21-31(50-22(2)42)18-30-37(53-25(5)45)36-29(20-49-34(48)17-16-28-14-12-11-13-15-28)32(51-23(3)43)19-33(52-24(4)44)41(36,10)39(55-27(7)47)38(54-26(6)46)35(21)40(30,8)9/h11-17,29-33,36-39H,18-20H2,1-10H3/b17-16+/t29-,30-,31+,32-,33-,36-,37-,38+,39-,41-/m1/s1
SMILES [C@@]12([C@H]([C@@H]([C@@H](C[C@H]1OC(=O)C)OC(=O)C)COC(=O)/C=C/c1ccccc1)[C@@H]([C@H]1C[C@@H](C(=C(C1(C)C)[C@@H]([C@H]2OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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OrganismTaxus chinensis
ReferenceParmar,Phytochem.,50,(1999),1267