CHEBI:227394 - Applanlactone C

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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 Applanlactone C
ChEBI ID CHEBI:227394
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H40O7
Net Charge 0
Average Mass 512.643
Monoisotopic Mass 512.27740
InChI InChI=1S/C30H40O7/c1-15(2)19-13-24-30(37-24)21(27(19,5)9-8-25(33)34)14-22(31)28(6)20(12-23(32)29(28,30)7)16(3)10-18-11-17(4)26(35)36-18/h10,14,17-20,23-24,32H,1,8-9,11-13H2,2-7H3,(H,33,34)/b16-10+/t17-,18-,19+,20-,23-,24-,27+,28+,29-,30+/m1/s1
InChIKey CSKGXFUFBCYWJL-KLLCHIFESA-N
SMILES O=C1C=C2[C@]([C@H](C(=C)C)C[C@@H]3[C@]2(O3)[C@]4([C@]1([C@@H](/C(=C/[C@H]5OC(=O)[C@@H](C5)C)/C)C[C@H]4O)C)C)(CCC(=O)O)C
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: PubMed
ChEBI Ontology
Outgoing Applanlactone C (CHEBI:227394) is a triterpenoid (CHEBI:36615)
IUPAC Name
3-[(1R,2S,3R,5R,6R,10S,11S,13R)-3-hydroxy-2,6,10-trimethyl-5-[(E)-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-prop-1-en-2-yl-14-oxatetracyclo[7.5.0.01,13.02,6]tetradec-8-en-10-yl]propanoic acid