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CHEBI:211854 - Anhydrohapaloxindole B

ChEBI IDCHEBI:211854
ChEBI NameAnhydrohapaloxindole B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClN2OS
Net Charge0
Average Mass384.932
Monoisotopic Mass384.10631
SMILESC=C[C@@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S
InChIInChI=1S/C21H21ClN2OS/c1-5-21(4)14(22)9-12-16(18(21)23-10-26)17-15-11(20(12,2)3)7-6-8-13(15)24-19(17)25/h5-8,12,14,18H,1,9H2,2-4H3,(H,24,25)/t12-,14+,18+,21-/m0/s1
InChIKeyPOWOOZMDXKYYOK-FWKFCYAVSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1016/S0031-9422(00)97798-7)
ChEBI Ontology
Outgoing Relation(s)
Anhydrohapaloxindole B (CHEBI:211854) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(3R,4R,5R,7R)-5-chloro-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