input word =
C00060531
Metabolite Information
Structural formula
Name
Taxinine J
Formula
C39H48O12
Mw
708.314577
CAS RN
18457-46-0
C_ID
C00060531
InChIKey
MIJTXBNFQDJTPL-FOCLMDBBSA-N
InChICode
InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28-,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1
SMILES
C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Taxaceae
Taxus chinensis
Ref.
Plantae
Taxaceae
Taxus cuspidata
Ref.
Plantae
Taxaceae
Taxus yunnanensis
Ref.
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