CHEBI:216410 - Fornicatin D

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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 Fornicatin D
ChEBI ID CHEBI:216410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O6
Net Charge 0
Average Mass 474.638
Monoisotopic Mass 474.29814
InChI InChI=1S/C28H42O6/c1-16(2)19-14-20(29)25-24(26(19,4)12-11-23(33)34-7)21(30)15-28(6)18(10-13-27(25,28)5)17(3)8-9-22(31)32/h17-20,29H,1,8-15H2,2-7H3,(H,31,32)/t17-,18-,19?,20+,26+,27+,28-/m1/s1
InChIKey NIMMHBASIZOWOI-XZFWSZNQSA-N
SMILES O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](CCC(=O)O)C)C)[C@@H](O)CC([C@@]2(CCC(=O)OC)C)C(=C)C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing Fornicatin D (CHEBI:216410) is a diterpenoid (CHEBI:23849)
IUPAC Name
(4R)-4-[(3R,3aR,6S,9S,9bR)-9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoic acid
Manual Xref Database
78441349 ChemSpider
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