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CHEBI:227690 - Hectochlorin C

ChEBI IDCHEBI:227690
ChEBI NameHectochlorin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35ClN2O9S2
Net Charge0
Average Mass631.169
Monoisotopic Mass630.14725
SMILESCC(=O)OC1c2nc(cs2)C(=O)OC(CCCC(C)Cl)C(C)C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C
InChIInChI=1S/C27H35ClN2O9S2/c1-13(28)9-8-10-18-14(2)23(32)38-19(26(4,5)35)21-30-17(12-40-21)25(34)39-27(6,7)20(36-15(3)31)22-29-16(11-41-22)24(33)37-18/h11-14,18-20,35H,8-10H2,1-7H3
InChIKeyNJCRSCPKMAXMKK-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 C (CHEBI:227690) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[12-(4-chloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl] acetate
Manual XrefsDatabases
40256833ChemSpider