CHEBI:185751 - Myricanene A 5-[arabinosyl-(1->6)-glucoside]

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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 Myricanene A 5-[arabinosyl-(1->6)-glucoside]
ChEBI ID CHEBI:185751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H42O13
Net Charge 0
Average Mass 634.675
Monoisotopic Mass 634.26254
InChI InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h3-4,10-13,21-27,31-39H,5-9,14-15H2,1-2H3/b4-3+
InChIKey YPIDUTRPMROMSO-ONEGZZNKSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=3CCCC=CCCC4=CC(C(C3)=C(OC)C2OC)=C(O)C=C4)COC5OC(C(O)C5O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Myricanene A 5-[arabinosyl-(1->6)-glucoside] (CHEBI:185751) is a biphenyls (CHEBI:22888)
IUPAC Name
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(10E)-17-hydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaenyl]oxy]oxane-3,4,5-triol
Manual Xref Database
HMDB0039351 HMDB
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