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CHEBI:210017 - N-[(6S,7R)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-2,3-dihydroxybenzamide

ChEBI IDCHEBI:210017
ChEBI NameN-[(6S,7R)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-2,3-dihydroxybenzamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO10
Net Charge0
Average Mass535.590
Monoisotopic Mass535.24175
SMILESCCC(C)C1OC(=O)[C@@H](NC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)C(C)(C)C(=O)C(CC(C)C)OC1=O
InChIInChI=1S/C27H37NO10/c1-8-14(4)21-25(34)37-18(12-13(2)3)22(31)27(6,7)26(35)36-15(5)19(24(33)38-21)28-23(32)16-10-9-11-17(29)20(16)30/h9-11,13-15,18-19,21,29-30H,8,12H2,1-7H3,(H,28,32)/t14?,15-,18?,19+,21?/m1/s1
InChIKeyKWFULOSVKADUCR-FIILAKESSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23756369)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[(6S,7R)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-2,3-dihydroxybenzamide (CHEBI:210017) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(6S,7R)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
78445538ChemSpider