CHEBI:213523 - Hericene G

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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 Hericene G
ChEBI ID CHEBI:213523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H88O7
Net Charge 0
Average Mass 837.280
Monoisotopic Mass 836.65301
InChI InChI=1S/C53H88O7/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-52(56)60-47(39-44(3)4)40-45(5)37-38-48-50(58-6)41-46(49(42-54)53(48)57)43-59-51(55)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2/h21-22,37,39,41-42,47,57H,7-20,23-36,38,40,43H2,1-6H3/b22-21-,45-37+/t47-/m1/s1
InChIKey BTWRBDAGXJKKNZ-UKPHUILLSA-N
SMILES O=C(O[C@H](C=C(C)C)C/C(=C/CC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)/C)CCCCCCC/C=C\CCCCCCCC
Metabolite of Species Details
Hericium erinaceus (NCBI:txid91752) See: PubMed
ChEBI Ontology
Outgoing Hericene G (CHEBI:213523) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[(6E)-8-[3-ormyl-4-(hexadecanoyloxymethyl)-2-hydroxy-6-methoxyphenyl]-2,6-dimethylocta-2,6-dien-4-yl] (Z)-octadec-9-enoate