input word = C00018595

Metabolite InformationStructural formula
Name Antibiotic 53607
Antibiotic X 14931A
CP 53607
Formula C40H66O11
Mw 722.46051295
CAS RN 84680-56-8
C_ID C00018595 ,
InChIKey XWLYMVOZTUFPTC-UHFFFAOYNA-N
InChICode InChI=1S/C40H66O11/c1-21(33(43)22(2)16-25(5)36(44)45)15-23(3)34-29(9)30(42)19-38(49-34)14-13-37(10,51-38)32-12-11-26(6)40(48-32)28(8)18-31(47-40)35-24(4)17-27(7)39(46,20-41)50-35/h15,22-32,34-35,41-42,46H,11-14,16-20H2,1-10H3,(H,44,45)/b21-15+/t22-,23+,24-,25+,26-,27-,28+,29-,30-,31+,32-,34+,35-,37-,38+,39-,40+/m1/s1
SMILES [C@]1([C@@H](C[C@H]([C@@H](O1)[C@H]1O[C@@]2([C@H](C1)C)[C@@H](CC[C@@H](O2)[C@@]1(C)CC[C@@]2(O1)O[C@H]([C@@H]([C@@H](C2)O)C)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)C)C)C)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. X-14931 Ref.
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