CHEBI:199514 - Expansol B

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ChEBI Name Expansol B
ChEBI ID CHEBI:199514
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H36O5
Net Charge 0
Average Mass 464.602
Monoisotopic Mass 464.25627
InChI InChI=1S/C29H36O5/c1-18(2)7-6-10-29(5,33)26-9-8-21(15-28(26)32)14-25-20(4)13-24(17-27(25)31)34-23-12-19(3)11-22(30)16-23/h8-9,11-13,15-18,30-33H,6-7,10,14H2,1-5H3/t29-/m0/s1
InChIKey GGHNFGXGXUVHRJ-LJAQVGFWSA-N
SMILES O(C1=CC(O)=C(CC2=CC(O)=C([C@@](O)(CCCC(C)C)C)C=C2)C(=C1)C)C3=CC(O)=CC(=C3)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Expansol B (CHEBI:199514) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
2-[[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenyl]methyl]-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol
Manual Xref Database
27024811 ChemSpider
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