input word = C00014883

Metabolite InformationStructural formula
Name 14-Hydroxyepothilone D
14xi-Hydroxyepothilone D
Formula C27H41NO6S
Mw 507.26545878
CAS RN 502619-64-9
C_ID C00014883 ,
InChIKey IURCNSHVMKBFIY-DCIAWUKONA-N
InChICode InChI=1S/C27H41NO6S/c1-15-9-8-10-16(2)24(32)18(4)26(33)27(6,7)22(30)13-23(31)34-25(21(29)11-15)17(3)12-20-14-35-19(5)28-20/h11-12,14,16,18,21-22,24-25,29-30,32H,8-10,13H2,1-7H3/b15-11-,17-12+/t16-,18+,21+,22-,24-,25+/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](CCC/C(=C\[C@H]([C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/C)O)/C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
--Amycolata autotrophica Ref.
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