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CHEBI:234001 - 1-dehydroxybaccatin IV

ChEBI IDCHEBI:234001
ChEBI Name1-dehydroxybaccatin IV
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H44O13
Net Charge0
Average Mass636.691
Monoisotopic Mass636.27819
SMILES[H][C@]12[C@H](OC(C)=O)[C@]3([H])C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H]1OC[C@]12OC(C)=O)C3(C)C
InChIInChI=1S/C32H44O13/c1-14-22(40-15(2)33)11-21-26(42-17(4)35)28-31(10,23(41-16(3)34)12-24-32(28,13-39-24)45-20(7)38)29(44-19(6)37)27(43-18(5)36)25(14)30(21,8)9/h21-24,26-29H,11-13H2,1-10H3/t21-,22-,23-,24+,26+,27+,28-,29-,31+,32-/m0/s1
InChIKeyGHSKUVKACGPNGN-CZYGJQDOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-dehydroxybaccatin IV (CHEBI:234001) is a acetate ester (CHEBI:47622)
1-dehydroxybaccatin IV (CHEBI:234001) is a tetracyclic diterpenoid (CHEBI:52557)
UniProt Name  Source
1-dehydroxybaccatin IVUniProt
Citations