CHEBI:212289 - Miliacin

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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 Miliacin
ChEBI ID CHEBI:212289
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52O
Net Charge 0
Average Mass 440.756
Monoisotopic Mass 440.40182
InChI InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21?,23?,24?,25-,28+,29-,30?,31+/m0/s1
InChIKey YZBNXQLCEJJXSC-YIYCLLTRSA-N
SMILES O([C@@H]1C(C2[C@](C3[C@@](C4(C(C5=CC(CC[C@]5(C)CC4)(C)C)CC3)C)(C)CC2)(C)CC1)(C)C)C
Metabolite of Species Details
Chaetomium olivaceum (NCBI:txid1087732) See: DOI
ChEBI Ontology
Outgoing Miliacin (CHEBI:212289) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,6aR,8aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene
Manual Xref Database
10479049 ChemSpider
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