input word = C00060342

Metabolite InformationStructural formula
Name 10-Deacetyl-2-debenzoyl-2-tigloyl-baccatin III
Formula C27H38O10
Mw 522.24649744
CAS RN 171926-87-7
C_ID C00060342
InChIKey GADAUHGBDGVMET-ORSMARSKSA-N
InChICode InChI=1S/C27H38O10/c1-8-12(2)23(33)36-22-20-25(7,16(30)9-17-26(20,11-35-17)37-14(4)28)21(32)19(31)18-13(3)15(29)10-27(22,34)24(18,5)6/h8,15-17,19-20,22,29-31,34H,9-11H2,1-7H3/b12-8+/t15-,16-,17+,19+,20-,22-,25+,26-,27+/m0/s1
SMILES CC=C(C)C(=O)OC1C2C3(OC(C)=O)COC3CC(O)C2(C)C(=O)C(O)C2=C(C)C(O)CC1(O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
zoom in