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(+)-aplysinillin

Go to external page http://purl.obolibrary.org/obo/CHEBI_65417

An alklaoid obtained from the marine sponge Aplysinella.

Term info

Label

(+)-aplysinillin

Synonyms
  • (5S,10R)-7,9-dibromo-N-[4-({[(5R,9R,10S)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl}amino)butyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
database cross reference
Subsets

3_STAR

IUPAC NAME
(5S,10R)-7,9-dibromo-N-[4-({[(5R,9R,10S)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl}amino)butyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide [ IUPAC ]

charge

0

formula

C23H24Br4N4O8

has obo namespace

chebi_ontology

id

CHEBI:65417

inchi

InChI=1S/C23H24Br4N4O8/c1-37-17-11(25)7-23(19(34)15(17)27)9-13(31-39-23)21(36)29-5-3-2-4-28-20(35)12-8-22(38-30-12)6-10(24)16(32)14(26)18(22)33/h6-7,14,18-19,33-34H,2-5,8-9H2,1H3,(H,28,35)(H,29,36)/t14-,18+,19-,22-,23+/m0/s1

inchikey

ONDRQQMSEBCZNC-XXYODPDXSA-N

mass

804.07500

monoisotopicmass

799.83277

smiles

COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C2=NO[C@]3(C2)C=C(Br)C(=O)[C@H](Br)[C@H]3O)C=C1Br