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CHEBI:188504 - Aspongamide A

ChEBI IDCHEBI:188504
ChEBI NameAspongamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H31N3O9
Net Charge0
Average Mass577.590
Monoisotopic Mass577.20603
SMILES[H][C@]12Oc3ccc(CCNC(C)=O)cc3O[C@@]1(NC(C)=O)[C@@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)c1cc(O)c(O)cc12
InChIInChI=1S/C30H31N3O9/c1-14(34)31-9-8-17-4-7-25-26(10-17)42-30(33-16(3)36)28(32-15(2)35)27(18-5-6-21(37)22(38)11-18)19-12-23(39)24(40)13-20(19)29(30)41-25/h4-7,10-13,27-29,37-40H,8-9H2,1-3H3,(H,31,34)(H,32,35)(H,33,36)/t27-,28+,29-,30+/m1/s1
InChIKeySXYBMDDRWJBXBI-ATIZSFMBSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Aspongamide A (CHEBI:188504) is a acetamides (CHEBI:22160)
IUPAC Name 
N-[2-[(5R,6S,6aS,12aR)-6,6a-diacetamido-5-(3,4-dihydroxyphenyl)-2,3-dihydroxy-6,12a-dihydro-5H-benzo[a]oxanthren-9-yl]ethyl]acetamide
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30830040ChemSpider