input word = C00041197

Metabolite InformationStructural formula
Name Taxuspine P
(+)-Taxuspine P
Formula C41H55NO13
Mw 769.36734085
CAS RN 175739-43-2
C_ID C00041197 ,
InChIKey WKBGGGLQBJFAIE-NJOUCBFQNA-N
InChICode InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1
SMILES C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
ReferenceParmar,Phytochem.,50,(1999),1267