input word = C00032599

Metabolite InformationStructural formula
Name 13-O-Deacetyltaxumairol Z
(-)-13-O-Deacetyltaxumairol Z
Formula C31H40O12
Mw 604.25197674
CAS RN 220935-39-7
C_ID C00032599 ,
InChIKey IZPGQOGNFFVNFT-MOJRTSEJNA-N
InChICode InChI=1S/C31H40O12/c1-15-19(34)12-30(28(4,5)39)22(15)23(36)25(37)29(13-40-16(2)32)20(35)11-21-31(14-41-21,43-17(3)33)24(29)26(30)42-27(38)18-9-7-6-8-10-18/h6-10,19-21,23-26,34-37,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1
SMILES CC(=O)OC[C@@]12[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@@H]1O)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei (LEMEE & LEVL.) S.Y.Hu. Ref.
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