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CHEBI:66042 - 1-hydroxycrisamicin A

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:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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