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CHEBI:227685 - Hectochlorin B

ChEBI IDCHEBI:227685
ChEBI NameHectochlorin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32Cl2N2O8S2
Net Charge0
Average Mass623.577
Monoisotopic Mass622.09771
SMILESCC1C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC(C)(C)C(O)c2nc(cs2)C(=O)OC1CCCC(C)(Cl)Cl
InChIInChI=1S/C25H32Cl2N2O8S2/c1-12-15(8-7-9-25(6,26)27)35-21(32)13-10-38-18(28-13)16(30)24(4,5)37-22(33)14-11-39-19(29-14)17(23(2,3)34)36-20(12)31/h10-12,15-17,30,34H,7-9H2,1-6H3
InChIKeyVZEAHVQDYHOSRG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Moorena producens JHB (ncbitaxon:1454205) - PubMed (26222584)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hectochlorin B (CHEBI:227685) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione
Manual XrefsDatabases
40256832ChemSpider