CHEBI:175728 - 27-Hydroxyisomangiferolic acid

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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 27-Hydroxyisomangiferolic acid
ChEBI ID CHEBI:175728
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.710
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-24,31-32H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8-
InChIKey YWPLTMNXKKXXII-ZBKNUEDVSA-N
SMILES OC1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(CC/C=C(/CO)\C(O)=O)C)C)C)CC2)CC1)(C)C
ChEBI Ontology
Outgoing 27-Hydroxyisomangiferolic acid (CHEBI:175728) is a triterpenoid (CHEBI:36615)
IUPAC Name
(Z)-2-(hydroxymethyl)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
Manual Xrefs Databases
72390814 ChemSpider
HMDB0036064 HMDB
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