input word = C00040838

Metabolite InformationStructural formula
Name 5-Deacetyltaxachitriene B
Formula C28H40O11
Mw 552.25706212
CAS RN 187988-47-2
C_ID C00040838 ,
InChIKey DEWSERBDPFVHMP-AZVXOOSKNA-N
InChICode InChI=1S/C28H40O11/c1-13-23(36-15(3)30)10-20-22(35)9-19(12-29)21(34)11-24(37-16(4)31)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14-/t20-,21-,22-,23-,24-,27+/m0/s1
SMILES C1(=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@H](C[C@@H]1OC(=O)C)C2(C)C)O)/CO)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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