input word = C00060576

Metabolite InformationStructural formula
Name Taxanine NN-3
Formula C33H40O8
Mw 564.27231825
CAS RN 189136-32-1
C_ID C00060576
InChIKey CZLWREWIXSHVJD-AYFFSUKUSA-N
InChICode InChI=1S/C33H40O8/c1-18-24(36)17-23-29(39-20(3)34)28-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-33(28,7)31(38)30(40-21(4)35)27(18)32(23,5)6/h8-14,23,25,28-31,38H,2,15-17H2,1,3-7H3/b14-13+/t23-,25-,28-,29+,30+,31-,33+/m0/s1
SMILES C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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