CHEBI:207959 - Spirograterpene 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 Spirograterpene A
ChEBI ID CHEBI:207959
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-11-9-15(21)12(2)20(11)6-5-13-14(20)10-18(3)7-8-19(4,16(13)18)17(22)23/h11-12,15-16,21H,5-10H2,1-4H3,(H,22,23)/t11-,12+,15-,16+,18-,19+,20-/m1/s1
InChIKey IXEKUSSTAAFIKN-FKBRWOSRSA-N
SMILES O=C(O)[C@@]1([C@H]2C3=C([C@]4([C@H]([C@H](O)C[C@H]4C)C)CC3)C[C@@]2(C)CC1)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Spirograterpene A (CHEBI:207959) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1R,2'R,3'R,3bR,4S,5'R,6aR)-3'-hydroxy-2',4,5',6a-tetramethylspiro[2,3,3b,5,6,7-hexahydrocyclopenta[a]pentalene-1,1'-cyclopentane]-4-carboxylic acid
Manual Xref Database
78441650 ChemSpider
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