input word = C00038289

Metabolite InformationStructural formula
Name 5-Cinnamoyltaxicin I triacetate
Formula C35H42O10
Mw 622.27779756
CAS RN 13452-36-3
C_ID C00038289 ,
InChIKey VBLNERPSGWCFQJ-QQKNVFJMNA-N
InChICode InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3/b15-14+/t26-,29-,30+,31-,32-,34+,35+/m0/s1
SMILES C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Sieb et Zucc Ref.
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