input word = C00044346

Metabolite InformationStructural formula
Name Taxuspinanane I
(-)-Taxuspinanane I
Formula C48H53NO14
Mw 867.34660541
CAS RN 212071-25-5
C_ID C00044346 ,
InChIKey UATZAEJDBCHOCI-LPTDYQGGNA-N
InChICode InChI=1S/C48H53NO14/c1-26-32(61-44(57)37(53)36(29-17-11-8-12-18-29)49(7)42(55)30-19-13-9-14-20-30)24-48(58)41(62-43(56)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(54)38(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52-53,58H,23-25H2,1-7H3/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1
SMILES C12=C([C@H](C[C@@](C1(C)C)(O)[C@H]([C@H]1[C@](C(=O)[C@@H]2OC(=O)C)([C@H](C[C@@H]2[C@]1(CO2)OC(=O)C)O)C)OC(=O)c1ccccc1)OC(=O)[C@@H]([C@@H](N(C(=O)c1ccccc1)C)c1ccccc1)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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