input word = C00017236

Metabolite InformationStructural formula
Name Quartromicin D3
Formula C66H72O20
Mw 1184.46169474
CAS RN 140448-01-7
C_ID C00017236 ,
InChIKey XRSUHNIKMFTQKH-LIUVJBERNA-N
InChICode InChI=1S/C66H72O20/c1-33-13-11-17-59(7)25-39(29-67)35(3)21-63(59)51(75)45(55(79)83-63)44(72)16-20-62(10)28-42(32-70)38(6)24-66(62)54(78)48(58(82)86-66)50(74)34(2)14-12-18-60(8)26-40(30-68)36(4)22-64(60)52(76)46(56(80)84-64)43(71)15-19-61(9)27-41(31-69)37(5)23-65(61)53(77)47(49(33)73)57(81)85-65/h11-20,25-28,35-38,67-70,75-78H,21-24,29-32H2,1-10H3/b17-11+,18-12+,19-15+,20-16+,33-13+,34-14+/t35-,36-,37-,38-,59-,60+,61+,62+,63+,64-,65-,66-/m0/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)OC4=O)O)C)CO)C)O)\C)(C=C([C@H](C3)C)CO)C)OC1=O)O)C)CO)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