input word = C00038213

Metabolite InformationStructural formula
Name 21-Hydroxyoligomycin A
Formula C45H74O12
Mw 806.51802783
CAS RN 102042-09-1
C_ID C00038213 ,
InChIKey SCVGLVGTMYJVOI-AWXSNPHQNA-N
InChICode InChI=1S/C45H74O12/c1-12-33-17-15-13-14-16-26(4)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)25(3)18-19-37(48)55-41-28(6)36(23-34(33)47)57-45(32(41)10)21-20-24(2)35(56-45)22-27(5)46/h13-15,17-19,24-36,38,40-42,46-47,49,51-52,54H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34+,35-,36-,38+,40+,41-,42-,44+,45+/m0/s1
SMILES [C@H]1([C@H]([C@@H](C(=O)[C@@]([C@H]([C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@H]2[C@@H]([C@H](OC(=O)/C=C/[C@@H]([C@H]([C@@H](C1=O)C)O)C)[C@@H]([C@@]1(O2)O[C@H]([C@H](CC1)C)C[C@@H](C)O)C)C)O)CC)C)O)(O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cyaneogriseus ssp.noncyanogenus LL-F28249 Ref.
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