input word = C00041189

Metabolite InformationStructural formula
Name Taxuspine E
Formula C31H40O11
Mw 588.25706212
CAS RN 165074-73-7
C_ID C00041189 ,
InChIKey YCZNPMNCGXIWNH-UHFFFAOYNA-N
InChICode InChI=1S/C31H40O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,25(36)23(35)22(15)28(31,4)5)20(40-16(2)32)12-21-30(24,14-39-21)42-17(3)33/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21-,23-,24-,25+,26-,29+,30+,31-/m0/s1
SMILES [C@@]12([C@@H]([C@@]3([C@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@]1(C[C@@H](C(=C(C1(C)C)[C@@H]([C@H]2O)O)C)O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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