CHEBI:166598 - Albanol B

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ChEBI Name Albanol B
ChEBI ID CHEBI:166598
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H22O8
Net Charge 0
Average Mass 558.542
Monoisotopic Mass 558.13147
InChI InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3
InChIKey SMHBZVSVLIBGGO-UHFFFAOYSA-N
SMILES O1C2(OC3=C(C4=C2C(C=5C1=CC(=CC5O)C=6OC7=C(C6)C=CC(O)=C7)=CC(=C4)C)C=CC(O)=C3)C8=C(O)C=C(O)C=C8
ChEBI Ontology
Outgoing Albanol B (CHEBI:166598) is a benzofurans (CHEBI:35259)
IUPAC Name
1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzouran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
Manual Xrefs Databases
421880 ChemSpider
HMDB0030109 HMDB
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Registry Number Type Source
87084-99-9 CAS Registry Number ChemIDplus