input word = C00040890

Metabolite InformationStructural formula
Name Baccatin I
Formula C32H44O13
Mw 636.27819149
CAS RN 30244-35-0
C_ID C00040890 ,
InChIKey NHMSEMKTDAYSGW-UHFFFAOYNA-N
InChICode InChI=1S/C32H44O13/c1-14-22(40-15(2)33)11-21-26(43-18(5)36)28-31(10,23(41-16(3)34)12-24(42-17(4)35)32(28)13-39-32)29(45-20(7)38)27(44-19(6)37)25(14)30(21,8)9/h21-24,26-29H,11-13H2,1-10H3/t21-,22+,23+,24+,26+,27+,28+,29-,31-,32+/m0/s1
SMILES CC(=O)OC1CC2C(OC(C)=O)C3C4(CO4)C(OC(C)=O)CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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OrganismTaxus baccata
ReferenceParmar,Phytochem.,50,(1999),1267