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 CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)C3[C@@](C)([C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]34CO4)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus mairei Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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OrganismTaxus mairei
ReferenceParmar,Phytochem.,50,(1999),1267