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CHEBI:208944 - (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-carbaldehyde

ChEBI IDCHEBI:208944
ChEBI Name(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-carbaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2
InChIInChI=1S/C23H32O5/c1-13-5-6-18-21(2,3)19(27)7-8-22(18,4)23(13)10-15-17(26)9-14(11-24)16(12-25)20(15)28-23/h9,12-13,18-19,24,26-27H,5-8,10-11H2,1-4H3/t13-,18+,19-,22+,23-/m1/s1
InChIKeyQKXGRPHIBLICSC-QJAXDWLUSA-N
Species of MetaboliteComponentSourceComments
Stachybotrysspecies (ncbitaxon:1718872) - PubMed (8040079)
ChEBI Ontology
Outgoing Relation(s)
(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-carbaldehyde (CHEBI:208944) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-carbaldehyde
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