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CHEBI:211241 - 7-O-acetyl-19-epi-cytochalasin P1

ChEBI IDCHEBI:211241
ChEBI Name7-O-acetyl-19-epi-cytochalasin P1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO9
Net Charge0
Average Mass583.678
Monoisotopic Mass583.27813
SMILESCC(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@H](OC(C)=O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312
InChIInChI=1S/C32H41NO9/c1-16-11-10-14-21-26(40-18(3)34)30(5,38)17(2)23-22(15-20-12-8-7-9-13-20)33-29(37)32(21,23)28(41-19(4)35)24-27(42-24)31(6,39)25(16)36/h7-10,12-14,16-17,21-24,26-28,38-39H,11,15H2,1-6H3,(H,33,37)/b14-10+/t16-,17-,21-,22-,23-,24+,26-,27-,28+,30+,31-,32-/m0/s1
InChIKeyGNJAKHROYCBGQY-SMKYEEDKSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31271786)
ChEBI Ontology
Outgoing Relation(s)
7-O-acetyl-19-epi-cytochalasin P1 (CHEBI:211241) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3S,5S,6R,8S,10E,12R,13S,14R,15S,16R,17S)-2-acetyloxy-17-benzyl-6,14-dihydroxy-6,8,14,15-tetramethyl-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadec-10-en-13-yl] acetate