CHEBI:206569 - (+/-)-aspergilol H

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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 (+/-)-aspergilol H
ChEBI ID CHEBI:206569
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H30O10
Net Charge 0
Average Mass 598.604
Monoisotopic Mass 598.18390
InChI InChI=1S/C34H30O10/c1-15-7-18(36)10-20(8-15)44-21-9-16(2)28(26(39)13-21)22(6-4-5-17(3)35)29-27(40)14-24-31(33(29)42)34(43)30-23(32(24)41)11-19(37)12-25(30)38/h7-14,22,36-40,42H,4-6H2,1-3H3/t22-/m0/s1
InChIKey SPVJSIDQBCYIGG-QFIPXVFZSA-N
SMILES O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C4=C(O)C=C(OC5=CC(O)=CC(=C5)C)C=C4C)CCCC(=O)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing (+/-)-aspergilol H (CHEBI:206569) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
1,3,6,8-tetrahydroxy-2-[1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-5-oxohexyl]anthracene-9,10-dione
Manual Xref Database
61362074 ChemSpider
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