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CHEBI:219042 - (11)-Cytochalasa-6(12),13-diene-1,21-dione-16,18-dimethyl-7-hydroxy-lO-phenyl-(7S*,13E,16S*,18S*)

ChEBI IDCHEBI:219042
ChEBI Name(11)-Cytochalasa-6(12),13-diene-1,21-dione-16,18-dimethyl-7-hydroxy-lO-phenyl-(7S*,13E,16S*,18S*)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESC=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)CC[C@@H](C)C[C@H](C)C/C=C/[C@@H]3[C@H]1O
InChIInChI=1S/C28H37NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-12,17-19,22-23,25-26,31H,4,9,13-16H2,1-3H3,(H,29,32)/b12-8+/t17-,18-,19+,22-,23-,25-,26+,28+/m1/s1
InChIKeyPTFNSBGUGCYQFN-NWKGAVBNSA-N
Species of MetaboliteComponentSourceComments
Daldiniaspecies (ncbitaxon:1769485) - DOI (10.1016/0031-9422(95)00644-3)
ChEBI Ontology
Outgoing Relation(s)
(11)-Cytochalasa-6(12),13-diene-1,21-dione-16,18-dimethyl-7-hydroxy-lO-phenyl-(7S*,13E,16S*,18S*) (CHEBI:219042) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5R,7S,9E,11S,12R,14R,15S,16R)-16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
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78437619ChemSpider