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CHEBI:220930 - SCH-212394

ChEBI IDCHEBI:220930
ChEBI NameSCH-212394
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SubmitterMetaboLights
DownloadsMolfile
FormulaC61H47Cl7N8O14
Net Charge0
Average Mass1364.260
Monoisotopic Mass1360.10314
SMILESCN1C(=O)C(c2cc(Cl)c(O)c(Cl)c2)NC(=O)C2NC(=O)C(c3cc(Cl)c(O)c(Cl)c3)NC(=O)C(NC(=O)C(N)c3cc(Cl)c(O)c(Cl)c3)Cc3cnc4c(c(Cl)ccc34)-c3cc2cc(c3O)Oc2cccc(c2)CC1C(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C61H47Cl7N8O14/c1-76-42(56(83)75-49(61(88)89)24-5-7-30(77)8-6-24)12-23-3-2-4-31(11-23)90-43-21-26-13-33(51(43)78)44-34(62)10-9-32-29(22-70-50(32)44)20-41(71-57(84)45(69)25-14-35(63)52(79)36(64)15-25)55(82)72-47(27-16-37(65)53(80)38(66)17-27)58(85)73-46(26)59(86)74-48(60(76)87)28-18-39(67)54(81)40(68)19-28/h2-11,13-19,21-22,41-42,45-49,70,77-81H,12,20,69H2,1H3,(H,71,84)(H,72,82)(H,73,85)(H,74,86)(H,75,83)(H,88,89)
InChIKeyYLZGPGBPVOVKMN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/s0040-4039(02)01029-8)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SCH-212394 (CHEBI:220930) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[[12-[[2-amino-2-(3,5-dichloro-4-hydroxyphenyl)-1-hydroxyethylidene]amino]-3-chloro-15,21-bis(3,5-dichloro-4-hydroxyphenyl)-13,16,19,36-tetrahydroxy-23-methyl-22-oxo-31-oxa-8,14,17,20,23-pentazahexacyclo[30.3.1.126,30.02,7.06,10.018,34]heptatriaconta-1(36),2,4,6,9,13,16,19,26(37),27,29,32,34-tridecaen-24-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
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78444668ChemSpider