input word = C00017232

Metabolite InformationStructural formula
Name Quartromicin A2
Formula C78H90O30
Mw 1506.55169154
CAS RN 136765-20-3
C_ID C00017232 ,
InChIKey CYAJWEYZBFNFOA-PXJSOXGFNA-N
InChICode InChI=1S/C78H90O30/c1-35-13-11-17-71(7)27-43(33-101-69-59(91)57(89)55(87)47(31-81)103-69)39(5)23-75(71)61(93)49(65(97)105-75)46(84)16-20-74(10)26-42(30-80)38(4)22-78(74)64(96)52(68(100)108-78)54(86)36(2)14-12-18-72(8)28-44(34-102-70-60(92)58(90)56(88)48(32-82)104-70)40(6)24-76(72)62(94)50(66(98)106-76)45(83)15-19-73(9)25-41(29-79)37(3)21-77(73)63(95)51(53(35)85)67(99)107-77/h11-20,25-29,37-40,47-48,55-60,69-70,80-82,87-96H,21-24,30-34H2,1-10H3/b17-11+,18-12+,19-15+,20-16+,35-13+,36-14+/t37-,38-,39+,40-,47-,48+,55+,56+,57-,58-,59-,60+,69-,70-,71-,72-,73+,74-,75+,76+,77-,78-/m1/s1
SMILES O1C(=O)C2=C([C@]31C[C@H](C(=C[C@@]3(/C=C/C(=O)C1=C([C@@]3([C@](/C=C/C=C(/C(=O)C4=C([C@]5(OC4=O)C[C@H](C(=C[C@]5(/C=C/C(=O)C4=C([C@@]5([C@](/C=C/C=C(/C2=O)\C)(C=C([C@H](C5)C)CO[C@@H]2O[C@@H]([C@@H]([C@H]([C@H]2O)O)O)CO)C)OC4=O)O)C)CO)C)O)\C)(C=C([C@@H](C3)C)CO[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)CO)C)OC1=O)O)C)C=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis Q427-8 (ATCC 53884) Ref.
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OrganismAmycolatopsis orientalis Q427-8 (ATCC 53884)
ReferenceTsunakawa,J.Antibiotics 45,(1992),180