input word = C00041202

Metabolite InformationStructural formula
Name Taxuspine U
(+)-Taxuspine U
Formula C28H40O11
Mw 552.25706212
CAS RN 183112-53-0
C_ID C00041202 ,
InChIKey NWGSLLPHAJKKFO-CBNDUGFTNA-N
InChICode InChI=1S/C28H40O11/c1-13-21(34)11-24(37-16(4)31)19(12-29)9-22(35)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13-/t20-,21-,22-,23-,24-,27+/m0/s1
SMILES C\1(=C(/[C@@H](C2=C([C@H](C[C@@H]([C@H](/C=C(/[C@H](C[C@@H]1O)OC(=O)C)\CO)O)C2(C)C)OC(=O)C)C)OC(=O)C)\OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus cuspidata
ReferenceParmar,Phytochem.,50,(1999),1267