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CHEBI:218792 - Hygrocin B

ChEBI IDCHEBI:218792
ChEBI NameHygrocin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H29NO8
Net Charge0
Average Mass507.539
Monoisotopic Mass507.18932
SMILESCCC1C=C[C@H](O)[C@H](C)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O
InChIInChI=1S/C28H29NO8/c1-5-15-6-8-17(30)14(3)37-27(36)28(4)11-10-19(32)29-23-22(28)26(35)20-16(25(23)34)12-13(2)24(33)21(20)18(31)9-7-15/h6,8,10-12,14-15,17,30,33H,5,7,9H2,1-4H3,(H,29,32)/t14-,15?,17-,28-/m0/s1
InChIKeyYCXQGZJYZGFQSB-MGRGBYLISA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (16378365)
ChEBI Ontology
Outgoing Relation(s)
Hygrocin B (CHEBI:218792) is a azamacrocycle (CHEBI:52898)
Hygrocin B (CHEBI:218792) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(12S,13S,16S)-9-ethyl-4,12-dihydroxy-3,13,16-trimethyl-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,17,21-hexaene-6,15,19,23,25-pentone