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CHEBI:211860 - Anhydrohapaloxindole M

ChEBI IDCHEBI:211860
ChEBI NameAnhydrohapaloxindole M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2OS
Net Charge0
Average Mass350.487
Monoisotopic Mass350.14528
SMILESC=C[C@@]1(C)CC[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S
InChIInChI=1S/C21H22N2OS/c1-5-21(4)10-9-13-16(18(21)22-11-25)17-15-12(20(13,2)3)7-6-8-14(15)23-19(17)24/h5-8,13,18H,1,9-10H2,2-4H3,(H,23,24)/t13-,18+,21-/m0/s1
InChIKeyNQEQFUOQGBHGNH-NVMYHKGLSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1016/S0031-9422(00)97798-7)
ChEBI Ontology
Outgoing Relation(s)
Anhydrohapaloxindole M (CHEBI:211860) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(3S,4R,7R)-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1,9(16),10,12-tetraen-15-one