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CHEBI:66042 - 1-hydroxycrisamicin A

Default Structure
ChEBI IDCHEBI:66042
ChEBI Name1-hydroxycrisamicin A
Stars
DefinitionAn organic heterotetracyclic compound isolated from the culture broth of Micromonospora sp. SA-246. It exhibits potent antibacterial activity against several Gram-positive bacterial strains.
Last Modified3 June 2016
DownloadsMolfile
FormulaC32H22O13
Net Charge0
Average Mass614.515
Monoisotopic Mass614.10604
SMILES[H][C@@]12OC(=O)C[C@]1([H])O[C@@H](C)C1=C2C(=O)c2c(O)cc(-c3cc(O)c4c(c3)C(=O)C3=C(C4=O)[C@]4([H])OC(=O)C[C@]4([H])O[C@]3(C)O)cc2C1=O
InChIInChI=1S/C32H22O13/c1-9-20-23(30-16(42-9)7-18(35)43-30)28(39)21-12(26(20)37)3-10(5-14(21)33)11-4-13-22(15(34)6-11)29(40)24-25(27(13)38)32(2,41)45-17-8-19(36)44-31(17)24/h3-6,9,16-17,30-31,33-34,41H,7-8H2,1-2H3/t9-,16-,17-,30+,31+,32-/m0/s1
InChIKeyRGOCVNGEBMGCNA-WIDQCZIUSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (9531992) Strain: SA 246
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
1-hydroxycrisamicin A (CHEBI:66042) has role antibacterial agent (CHEBI:33282)
1-hydroxycrisamicin A (CHEBI:66042) has role metabolite (CHEBI:25212)
1-hydroxycrisamicin A (CHEBI:66042) is a p-quinones (CHEBI:25830)
1-hydroxycrisamicin A (CHEBI:66042) is a cyclic ether (CHEBI:37407)
1-hydroxycrisamicin A (CHEBI:66042) is a organic heterotetracyclic compound (CHEBI:38163)
1-hydroxycrisamicin A (CHEBI:66042) is a organic hydroxy compound (CHEBI:33822)
1-hydroxycrisamicin A (CHEBI:66042) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aS,3a'S,5S,5'S,11bS,11b'S)-5,10,10'-trihydroxy-5,5'-dimethyl-3,3',3a,3a',5,5',11b,11b'-octahydro-2H,2'H-8,8'-bibenzo[g]furo[3,2-c]isochromene-2,2',6,6',11,11'-hexone
Registry NumbersSources
Reaxys:8180397Reaxys
Citations