Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:03:27 UTC
Update Date2022-08-31 06:23:48 UTC
Metabolite IDMMDBc0005454
Metabolite Identification
Common NameShikometabolin A
Description3,10,14,16,21-pentahydroxy-6-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Based on a literature review very few articles have been published on 3,10,14,16,21-pentahydroxy-6-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione.
Structure
SynonymsNot Available
Molecular FormulaC32H28O9
Average Mass556.567
Monoisotopic Mass556.173332482
IUPAC Name3,10,14,16,21-pentahydroxy-6-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione
Traditional Name3,10,14,16,21-pentahydroxy-6-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CC=C(C)C)C1=CC(=O)C2=C(O)C3=C(CC=C(C)C)C4=C(O)C5=C(O)C=CC(=O)C5=C(O)C4=C3C(O)=C2C1=O
InChI Identifier
InChI=1S/C32H28O9/c1-12(2)5-7-14-20-25(31(40)23-18(35)10-9-17(34)22(23)29(20)38)26-21(14)30(39)24-19(36)11-15(16(33)8-6-13(3)4)28(37)27(24)32(26)41/h5-6,9-11,16,33-34,38-41H,7-8H2,1-4H3/t16-/m1/s1
InChI KeyGZLGDGNAPRORBA-MRXNPFEDSA-N