CHEBI:216694 - Allocyathin B2

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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 Allocyathin B2
ChEBI ID CHEBI:216694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O2
Net Charge 0
Average Mass 300.442
Monoisotopic Mass 300.20893
InChI InChI=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
InChIKey OJMVUIQFSYRFTF-DFQSSKMNSA-N
SMILES O=CC1=CC=C2C3=C(C(C)C)CC[C@]3(C)CC[C@]2([C@H](C1)O)C
Metabolite of Species Details
Cyathus (NCBI:txid68776) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
9187219 ChemSpider
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