Compound ID | 3349

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Simaomicin

Synonym(s): LL-D42067

Class: Natural product antibiotic (isoquinoline)

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus and Enterococcus faecalis
Description: Natural product from Actinomadura madurae; also shows anti-coccidial activity
Institute where first reported: Lederle Laboratories
Year first mentioned: 1990
Development status: Experimental
Chemical structure(s):
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Molecular weight: 535.5
Iso. SMILES: CC1=CC2=C(C(=C3C4=C2OCO[C@H]4CC5=C3C(=C6C(=C5OC)OC7=C(C6=O)[C@H](CC[C@@H]7O)O)O)O)C(=O)N1C
InChI Key: DQPBSXMRMTWOAQ-IHRRRGAJSA-N
Can. SMILES: CC1=CC2=C3C4=C(C5=C(C6=C(C(=C5C[C@@H]4OCO3)OC)OC7=C([C@H](CC[C@@H]7O)O)C6=O)O)C(=C2C(=O)N1C)O
InChI: InChI=1S/C28H25NO10/c1-9-6-10-16(28(35)29(9)2)22(33)19-15-11(7-14-18(19)24(10)38-8-37-14)25(36-3)27-20(21(15)32)23(34)17-12(30)4-5-13(31)26(17)39-27/h6,12-14,30-33H,4-5,7-8H2,1-3H3/t12-,13-,14-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/13881180
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/43/9/43_9_1059/_article/-char/en

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