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CHEBI:201778 - Aranorosinol B

ChEBI IDCHEBI:201778
ChEBI NameAranorosinol B
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SubmitterMetaboLights
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FormulaC26H39NO7
Net Charge0
Average Mass477.598
Monoisotopic Mass477.27265
SMILESCCCCCCC(C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12
InChIInChI=1S/C26H39NO7/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(29)27-18-14-26(34-24(18)30)22-20(32-22)25(31,13-17(4)28)21-23(26)33-21/h10-12,15,18,20-24,30-31H,5-9,13-14H2,1-4H3,(H,27,29)/b11-10+,16-12+/t15?,18-,20-,21+,22+,23-,24+,25?,26?/m0/s1
InChIKeyYFJWRMZGLWVCSQ-CBVPCKOISA-N
ChEBI Ontology
Outgoing Relation(s)
Aranorosinol B (CHEBI:201778) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2E,4E)-N-[(1S,2'R,3R,3'S,5S,7R)-2',6-dihydroxy-6-(2-oxopropyl)spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide
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