CHEBI:182820 - 3-(Hydroxymethyl)-5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]pent-2-enoic acid

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ChEBI Name 3-(Hydroxymethyl)-5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]pent-2-enoic acid
ChEBI ID CHEBI:182820
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/c1-14-7-9-20(3)16(13-22)5-4-6-17(20)19(14,2)10-8-15(12-21)11-18(23)24/h5,11,14,17,21-22H,4,6-10,12-13H2,1-3H3,(H,23,24)
InChIKey LRLROPFPFABQRF-UHFFFAOYSA-N
SMILES OCC=1C2(C(C(C(CC2)C)(CCC(CO)=CC(O)=O)C)CCC1)C
ChEBI Ontology
Outgoing 3-(Hydroxymethyl)-5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]pent-2-enoic acid (CHEBI:182820) is a diterpenoid (CHEBI:23849)
IUPAC Name
3-(hydroxymethyl)-5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]pent-2-enoic acid