CHEBI:180522 - Myricolal

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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 Myricolal
ChEBI ID CHEBI:180522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.712
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,19-21,23-24,32H,8-9,11-18H2,1-7H3
InChIKey IFVLEXPVJXHCAY-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C=4C(C5C(CC4)(CCC(C5)(C)C)C=O)(CC3)C)(CC2)C)(CC1)C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Myricolal (CHEBI:180522) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name
10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carbaldehyde
Manual Xrefs Databases
35013567 ChemSpider
HMDB0033257 HMDB
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