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CHEBI:209477 - Burnettramic acid A

ChEBI IDCHEBI:209477
ChEBI NameBurnettramic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71NO12
Net Charge0
Average Mass770.014
Monoisotopic Mass769.49763
SMILESCC(CCCCCCCCCC=CCC(O)CCCC(O)CCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(C)C(O)=C1C(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C41H71NO12/c1-27(23-28(2)35(47)34-36(48)32-24-31(46)25-42(32)40(34)52)17-12-9-7-5-3-4-6-8-10-13-18-29(44)20-16-21-30(45)19-14-11-15-22-53-41-39(51)38(50)37(49)33(26-43)54-41/h10,13,27-33,37-39,41,43-47,49-51H,3-9,11-12,14-26H2,1-2H3/t27?,28?,29?,30?,31-,32+,33-,37-,38+,39+,41-/m1/s1
InChIKeyMGYSOSIDALEBDU-CACRZAOGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus burnettii (ncbitaxon:2508778) - PubMed (30735051)
ChEBI Ontology
Outgoing Relation(s)
Burnettramic acid A (CHEBI:209477) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(6R,8S)-6-hydroxy-2-[1,17,21-trihydroxy-2,4-dimethyl-26-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexacos-14-enylidene]-5,6,7,8-tetrahydropyrrolizine-1,3-dione