input word = C00018067

Metabolite InformationStructural formula
Name Septamycin
A 28695A
Antibiotic A 28695A
Formula C48H82O16
Mw 914.56028657
CAS RN 54927-63-8
C_ID C00018067 ,
InChIKey QZVSDERYSHAHPU-UHFFFAOYNA-N
InChICode InChI=1S/C48H82O16/c1-24-21-25(2)46(10,51)63-40(24)35-16-15-33(58-35)34-17-19-37(59-34)45(9)42(56-14)28(5)48(64-45)26(3)36(54-12)22-31(60-48)23-38-44(8,62-39-20-18-32(53-11)30(7)57-39)41(55-13)27(4)47(52,61-38)29(6)43(49)50/h24-42,51-52H,15-23H2,1-14H3,(H,49,50)/t24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,39-,40-,41-,42+,44-,45-,46-,47+,48-/m0/s1
SMILES [C@@]12([C@@H]([C@H]([C@@](O1)([C@@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H]1[C@H](C[C@H]([C@@](O1)(C)O)C)C)C)OC)C)O[C@@H](C[C@@H]([C@H]2C)OC)C[C@H]1O[C@@]([C@@H]([C@@H]([C@]1(O[C@@H]1O[C@H]([C@@H](CC1)OC)C)C)OC)C)(O)[C@H](C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus NRRL 5678 Ref.
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