input word = C00042088

Metabolite InformationStructural formula
Name 2-Deacetyl-5-de(cinnamoyl)taxagifin
2alpha-Deacetyl-5alpha-decinnamoyltaxagifin
Formula C26H36O11
Mw 524.22576199
CAS RN 135996-82-6
C_ID C00042088 ,
InChIKey HOVZKJLKUYBNDD-UNTIJFQXNA-N
InChICode InChI=1S/C26H36O11/c1-11-16(30)9-18(35-12(2)27)24(6)19(11)20(32)15-8-17(31)25(7)26(33,23(15,5)10-34-25)22(37-14(4)29)21(24)36-13(3)28/h15-16,18-22,30,32-33H,1,8-10H2,2-7H3/t15-,16-,18-,19-,20+,21-,22-,23-,24+,25+,26-/m0/s1
SMILES C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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