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CHEBI:210481 - Iododithiobrevamide

ChEBI IDCHEBI:210481
ChEBI NameIododithiobrevamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21IN2O8S2
Net Charge0
Average Mass608.432
Monoisotopic Mass607.97841
SMILESCOc1ccc(C2SS[C@]34C[C@]5(O)[C@H](I)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2NC4=O)c(O)c1OC
InChIInChI=1S/C20H21IN2O8S2/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)23-20(33-32-15,18(27)22-12)7-19(28)11(21)6-4-9(24)16(19)31-23/h3-6,9,11-12,15-16,24-25,28H,7H2,1-2H3,(H,22,27)/t9-,11-,12-,15?,16+,19+,20+/m1/s1
InChIKeyGUFWRYSUSBKITE-USKGTWDOSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (26439145)
ChEBI Ontology
Outgoing Relation(s)
Iododithiobrevamide (CHEBI:210481) is a methoxybenzenes (CHEBI:51683)
Iododithiobrevamide (CHEBI:210481) is a phenols (CHEBI:33853)
IUPAC Name 
(1S,3R,4R,7R,8S,12S)-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-4-iodo-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione
Manual XrefsDatabases
78437960ChemSpider