CHEBI:227685 - Hectochlorin B

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ChEBI Name Hectochlorin B
ChEBI ID CHEBI:227685
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32Cl2N2O8S2
Net Charge 0
Average Mass 623.560
Monoisotopic Mass 622.09771
InChI InChI=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
InChIKey VZEAHVQDYHOSRG-UHFFFAOYSA-N
SMILES ClC(Cl)(CCCC1OC(=O)C=2N=C(C(O)C(OC(C=3N=C(C(OC(C1C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C
Metabolite of Species Details
Moorena producens JHB (NCBI:txid1454205) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
40256832 ChemSpider
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