input word = C00035995

Metabolite InformationStructural formula
Name 10-Deacetylbaccatin III
Formula C29H36O10
Mw 544.23084737
CAS RN 32981-86-5
C_ID C00035995 ,
InChIKey YWLXLRUDGLRYDR-OECOXNDYNA-N
InChICode InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@@]1(C[C@@H](C(=C([C@H](C2=O)O)C1(C)C)C)O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCephalotaxaceaeCephalotaxus sinensis Ref.
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus fuana Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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