input word = C00002364

Metabolite InformationStructural formula
Name Taxine A
Formula C35H47NO10
Mw 641.31999673
CAS RN 1361-49-5
C_ID C00002364 ,
InChIKey KOTXAHKUCAQPQA-USPMNHHDNA-N
InChICode InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26+,27-,29-,30+,31+,35-/m0/s1
SMILES [C@@H]1(C[C@@H]2C(C(=C1C)[C@H](C(=O)[C@]1(C/C(=C\[C@H]2OC(=O)C)/[C@H](C[C@@H]1O)OC(=O)[C@@H]([C@H](c1ccccc1)N(C)C)O)C)O)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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OrganismTaxus baccata
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter31