input word = C00041153

Metabolite InformationStructural formula
Name Taxchinin B
Formula C44H50O14
Mw 802.32005631
CAS RN 152110-13-9
C_ID C00041153 ,
InChIKey CDOYUNMEWKKPNW-FMQUCBEENA-N
InChICode InChI=1S/C44H50O14/c1-24-31(56-34(49)20-19-29-15-11-9-12-16-29)22-43(41(6,7)51)35(24)36(57-40(50)30-17-13-10-14-18-30)38(54-26(3)46)42(8)32(53-25(2)45)21-33-44(23-52-33,58-28(5)48)37(42)39(43)55-27(4)47/h9-20,31-33,36-39,51H,21-23H2,1-8H3/b20-19+/t31-,32-,33+,36+,37-,38+,39-,42+,43-,44-/m1/s1
SMILES CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(C)=O)C3(C(C)(C)O)CC(OC(=O)/C=C/c4ccccc4)C(C)=C3C(OC(=O)c3ccccc3)C(OC(C)=O)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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