input word = C00014881

Metabolite InformationStructural formula
Name 9-Hydroxyepothilone D
9xi-Hydroxyepothilone D
Formula C27H41NO6S
Mw 507.26545878
CAS RN 528598-31-4
C_ID C00014881 ,
InChIKey VUKFQJGMKMIAMP-BSKCPQEDNA-N
InChICode InChI=1S/C27H41NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h9,12,14,17-18,21-23,25,29-30,32H,8,10-11,13H2,1-7H3/b15-9-,16-12+/t17-,18+,21+,22-,23-,25-/m0/s1
SMILES C1C[C@H]([C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C/C=C\1/C)/C(=C/c1nc(sc1)C)/C)O)(C)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Phe
Organism
Kingdom Family Species Reference
--Amycolata autotrophica Ref.
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