CHEBI:180984 - 3-[[(1S,2R,4As,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione

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ChEBI Name 3-[[(1S,2R,4As,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
ChEBI ID CHEBI:180984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.478
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21-,22+/m1/s1
InChIKey JJWITJNSXCXULM-SHYZFUQISA-N
SMILES OC1=C(C[C@@]2([C@@]3([C@](CC[C@H]2C)(C(CCC3)=C)C)[H])C)C(=O)C(OC)=CC1=O
ChEBI Ontology
Outgoing 3-[[(1S,2R,4As,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione (CHEBI:180984) is a prenylquinone (CHEBI:26255)
IUPAC Name
3-[[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Manual Xref Database
10470421 ChemSpider
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