CHEBI:210026 - Hawaiienol B

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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 Hawaiienol B
ChEBI ID CHEBI:210026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H22O8
Net Charge 0
Average Mass 402.399
Monoisotopic Mass 402.13147
InChI InChI=1S/C21H22O8/c1-26-14-8-4-12(5-9-14)19(24)17-16(22)20(25,21(28-3,29-17)18(19)23)13-6-10-15(27-2)11-7-13/h4-11,16-17,22,24-25H,1-3H3/t16-,17-,19-,20+,21-/m1/s1
InChIKey JXZNGXLFMMDPFT-YCXYWVQESA-N
SMILES O=C1[C@]2(O[C@@H]([C@]1(O)C3=CC=C(OC)C=C3)[C@H]([C@@]2(O)C4=CC=C(OC)C=C4)O)OC
Metabolite of Species Details
Paracamarosporium hawaiiense (NCBI:txid502129) See: PubMed
ChEBI Ontology
Outgoing Hawaiienol B (CHEBI:210026) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(1S,3R,4R,5R,6S)-3,5,6-trihydroxy-1-methoxy-3,6-bis(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-one
Manual Xref Database
78439119 ChemSpider
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