input word = C00040780

Metabolite InformationStructural formula
Name 1beta-Hydroxybaccatin I
Formula C32H44O14
Mw 652.27310612
CAS RN 30244-37-2
C_ID C00040780 ,
InChIKey LUTPIRPNUNHFEV-MUDKQEORNA-N
InChICode InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28-,30+,31+,32+/m0/s1
SMILES [C@@]12([C@@H]([C@@]3([C@H](C[C@@H]1OC(=O)C)OC(=O)C)OC3)[C@@H]([C@@]1(C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus mairei Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
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