CHEBI:201923 - Daedaleanic acid A

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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 Daedaleanic acid A
ChEBI ID CHEBI:201923
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H46O4
Net Charge 0
Average Mass 482.705
Monoisotopic Mass 482.33961
InChI InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1
InChIKey MFOKWUZMHJXWFI-ZKBPDDLLSA-N
SMILES O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C(C(=C(C)C=C3)CCC(=O)C(C)C)CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Metabolite of Species Details
Daedalea dickinsii (NCBI:txid157706) See: PubMed
ChEBI Ontology
Outgoing Daedaleanic acid A (CHEBI:201923) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2R)-2-[(2R,3R,3aR,9bR)-2-hydroxy-3a,7,9b-trimethyl-6-(4-methyl-3-oxopentyl)-2,3,4,5-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Manual Xref Database
9354254 ChemSpider
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