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CHEBI:216694 - Allocyathin B2

ChEBI IDCHEBI:216694
ChEBI NameAllocyathin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESCC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C20H28O2/c1-13(2)15-7-8-19(3)9-10-20(4)16(18(15)19)6-5-14(12-21)11-17(20)22/h5-6,12-13,17,22H,7-11H2,1-4H3/t17-,19+,20+/m0/s1
InChIKeyOJMVUIQFSYRFTF-DFQSSKMNSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - PubMed (9972274)
ChEBI Ontology
Outgoing Relation(s)
Allocyathin B2 (CHEBI:216694) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,6S)-6-hydroxy-3a,5a-dimethyl-1-propan-2-yl-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde
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9187219ChemSpider