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CHEBI:198946 - Juanlimycin B

ChEBI IDCHEBI:198946
ChEBI NameJuanlimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H40N4O13
Net Charge0
Average Mass856.841
Monoisotopic Mass856.25919
SMILESCC1=CC[C@H](O)c2cc(O)cc3c2[C@@](Nc2ccccc2C(=O)O)(C(=O)C=CC(C)=CC[C@H](O)c2cc(O)cc4c2[C@](Nc2cc(O)cc(C(=O)O)c2)(C(=O)C=C1)C(=O)N4)C(=O)N3
InChIInChI=1S/C46H40N4O13/c1-22-8-12-36(55)31-19-28(53)21-34-40(31)46(44(63)48-34,50-32-6-4-3-5-29(32)42(60)61)38(57)14-10-23(2)7-11-35(54)30-18-27(52)20-33-39(30)45(43(62)47-33,37(56)13-9-22)49-25-15-24(41(58)59)16-26(51)17-25/h3-10,13-21,35-36,49-55H,11-12H2,1-2H3,(H,47,62)(H,48,63)(H,58,59)(H,60,61)/t35-,36-,45+,46-/m0/s1
InChIKeyMWOJOCPPUCONTI-AJXVACPPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LC6 (ncbitaxon:1245506) - PubMed (24797062)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Juanlimycin B (CHEBI:198946) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3-[[(2S,9S,17S,24R)-24-(2-carboxyanilino)-2,14,17,29-tetrahydroxy-5,20-dimethyl-8,10,23,25-tetraoxo-11,26-diazapentacyclo[22.6.1.19,12.027,31.016,32]dotriaconta-1(31),4,6,12,14,16(32),19,21,27,29-decaen-9-yl]amino]-5-hydroxybenzoic acid