input word = C00041172

Metabolite InformationStructural formula
Name Taxuchin B
Formula C31H41ClO11
Mw 624.23373986
CAS RN 188939-79-9
C_ID C00041172 ,
InChIKey TUUVBJSOQMAIBP-ZXVWKLJUNA-N
InChICode InChI=1S/C31H41ClO11/c1-15-19(35)13-30(28(4,5)39)22(15)23(37)25(43-27(38)18-10-8-7-9-11-18)29(6)21(41-16(2)33)12-20(36)31(40,14-32)24(29)26(30)42-17(3)34/h7-11,19-21,23-26,35-37,39-40H,12-14H2,1-6H3/t19-,20-,21-,23+,24-,25-,26-,29+,30-,31-/m0/s1
SMILES CC(=O)O[C@H]1C[C@H](O)[C@@](O)(CCl)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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