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CHEBI:224306 - Shearilicine

ChEBI IDCHEBI:224306
ChEBI NameShearilicine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27NO3
Net Charge0
Average Mass413.517
Monoisotopic Mass413.19909
SMILESCC1(C)O[C@@]23CC[C@]4(C)c5cc6nc7ccccc7c6cc5CC[C@H]4C2=CC(=O)[C@@H]1O3
InChIInChI=1S/C27H27NO3/c1-25(2)24-23(29)14-20-18-9-8-15-12-17-16-6-4-5-7-21(16)28-22(17)13-19(15)26(18,3)10-11-27(20,30-24)31-25/h4-7,12-14,18,24,28H,8-11H2,1-3H3/t18-,24-,26-,27-/m0/s1
InChIKeyLXVZDJWVNOXLAL-HABQPGKKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31117519)
ChEBI Ontology
Outgoing Relation(s)
Shearilicine (CHEBI:224306) is a organic heterotricyclic compound (CHEBI:26979)
Shearilicine (CHEBI:224306) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S,20R,24R)-4,25,25-trimethyl-26,27-dioxa-8-azaheptacyclo[22.2.1.01,21.04,20.05,17.07,15.09,14]heptacosa-5,7(15),9,11,13,16,21-heptaen-23-one