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CHEBI:207959 - Spirograterpene A

ChEBI IDCHEBI:207959
ChEBI NameSpirograterpene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@@H]1C[C@@H](O)[C@H](C)[C@@]12CCC1=C2C[C@@]2(C)CC[C@](C)(C(=O)O)[C@@H]12
InChIInChI=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
InChIKeyIXEKUSSTAAFIKN-FKBRWOSRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28692272)
ChEBI Ontology
Outgoing Relation(s)
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
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78441650ChemSpider