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CHEBI:227695 - Hectochlorin D

ChEBI IDCHEBI:227695
ChEBI NameHectochlorin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36Cl2N2O9S2
Net Charge0
Average Mass679.641
Monoisotopic Mass678.12393
SMILESCC(=O)OC1c2nc(cs2)C(=O)OC(CCCC(C)(Cl)Cl)C(C)(C)C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C
InChIInChI=1S/C28H36Cl2N2O9S2/c1-14(33)38-19-21-31-15(12-43-21)22(34)39-17(10-9-11-28(8,29)30)25(2,3)24(36)40-18(26(4,5)37)20-32-16(13-42-20)23(35)41-27(19,6)7/h12-13,17-19,37H,9-11H2,1-8H3
InChIKeyYLZCHGRTZRQGND-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 D (CHEBI:227695) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[12-(4,4-dichloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13,13-tetramethyl-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
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