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CHEBI:205989 - Stachybotrylactone B

ChEBI IDCHEBI:205989
ChEBI NameStachybotrylactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O5
Net Charge0
Average Mass386.488
Monoisotopic Mass386.20932
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=O)OC3
InChIInChI=1S/C23H30O5/c1-12-5-6-16-21(2,3)17(25)7-8-22(16,4)23(12)10-14-15(24)9-13-11-27-20(26)18(13)19(14)28-23/h9,12,16-17,24-25H,5-8,10-11H2,1-4H3/t12-,16+,17-,22+,23-/m1/s1
InChIKeyGSGCEZDYQORYOG-NIVYWPPISA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (27726391)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrylactone B (CHEBI:205989) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,6-dihydrouro[3,4-g][1]benzouran]-8'-one
Manual XrefsDatabases
58197391ChemSpider