input word = C00014882

Metabolite InformationStructural formula
Name 11-Hydroxyepothilone D
11xi-Hydroxyepothilone D
Formula C27H41NO6S
Mw 507.26545878
CAS RN 377085-95-5
C_ID C00014882 ,
InChIKey OVTIAJMULHNXIE-PQUOPPPWNA-N
InChICode InChI=1S/C27H41NO6S/c1-15-9-11-22(17(3)12-20-14-35-19(5)28-20)34-24(31)13-23(30)27(6,7)26(33)18(4)25(32)16(2)8-10-21(15)29/h9,12,14,16,18,21-23,25,29-30,32H,8,10-11,13H2,1-7H3/b15-9-,17-12+/t16-,18+,21+,22-,23-,25-/m0/s1
SMILES C\1=C(\[C@@H](CC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C1)/C(=C/c1nc(sc1)C)/C)O)(C)C)C)O)C)O)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Phe
Organism
Kingdom Family Species Reference
--Amycolata autotrophica Ref.
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