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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
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
ChEBI ID CHEBI:208944
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O5
Net Charge 0
Average Mass 388.504
Monoisotopic Mass 388.22497
InChI InChI=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
InChIKey QKXGRPHIBLICSC-QJAXDWLUSA-N
SMILES O=CC1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)C2)CO
Metabolite of Species Details
Stachybotrysspecies (NCBI:txid1718872) See: PubMed
ChEBI Ontology
Outgoing (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
Manual Xref Database
31130284 ChemSpider
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