input word = C00062598

Metabolite InformationStructural formula
Name 2alpha,10beta-Diacetoxy-1beta,9alpha-dihydroxy-5alpha-cinnamoxy-3,11-cyclotax-4(20)-en-13-one
Formula C33H40O9
Mw 580.26723288
CAS RN 651355-10-1
C_ID C00062598
InChIKey ZKZVPKCUBZJHRV-AESIVZGTSA-N
InChICode InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3/b14-13+/t18-,24+,26+,27+,28-,30+,31-,32-,33-/m1/s1
SMILES C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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