input word = C00049526

Metabolite InformationStructural formula
Name Taxawallin D
Formula C33H42O10
Mw 598.27779756
CAS RN 172430-75-0
C_ID C00049526 ,
InChIKey LZZPXCROKNXNLF-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O10/c1-17-23-15-33(31(6,7)39)16-25(40-19(3)34)18(2)27(33)28(42-21(5)36)29(43-30(38)22-12-10-9-11-13-22)32(23,8)26(14-24(17)37)41-20(4)35/h9-13,23-26,28-29,37,39H,1,14-16H2,2-8H3/t23-,24+,25+,26-,28+,29+,32+,33+/m1/s1
SMILES [C@H]1([C@]2([C@H](C[C@]3(C(=C([C@H](C3)OC(=O)C)C)[C@@H]1OC(=O)C)C(C)(C)O)C(=C)[C@H](C[C@H]2OC(=O)C)O)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus wallichiana Ref.
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