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CHEBI:210537 - NW-G12

ChEBI IDCHEBI:210537
ChEBI NameNW-G12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50N10O7
Net Charge0
Average Mass722.848
Monoisotopic Mass722.38639
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2C[C@@]3(O)c4ccccc4N[C@H]3N2C(=O)[C@H]2CCCNN2C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCNN2C(=O)[C@@H]2CCCNN2C1=O
InChIInChI=1S/C35H50N10O7/c1-19(2)27-33(51)45-25(14-9-17-38-45)32(50)44-23(12-7-16-37-44)30(48)41(4)20(3)29(47)43-24(13-8-15-36-43)31(49)42-26(28(46)40-27)18-35(52)21-10-5-6-11-22(21)39-34(35)42/h5-6,10-11,19-20,23-27,34,36-39,52H,7-9,12-18H2,1-4H3,(H,40,46)/t20-,23+,24+,25-,26-,27-,34-,35+/m0/s1
InChIKeyNSROKMSHLJERKE-QTWVXYAASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1007/s10600-013-0775-x)
ChEBI Ontology
Outgoing Relation(s)
NW-G12 (CHEBI:210537) is a azamacrocycle (CHEBI:52898)
NW-G12 (CHEBI:210537) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3R,10S,13R,20S,27S,30S,32R,40S)-32-hydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone
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78438490ChemSpider