CHEBI:188892 - 18-Aminoabieta-8,11,13-Triene Sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 18-Aminoabieta-8,11,13-Triene Sulfate
ChEBI ID CHEBI:188892
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H31N.H2O4S
Net Charge 0
Average Mass 383.550
Monoisotopic Mass 383.21303
InChI InChI=1S/C20H31N.H2O4S/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-5(2,3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;(H2,1,2,3,4)/t18?,19-,20+;/m0./s1
InChIKey FDYFHDKFDSGDKM-MGPZMBRGSA-N
SMILES S(O)(O)(=O)=O.NC[C@]1(C2[C@](CCC1)(C3=C(CC2)C=C(C=C3)C(C)C)C)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 18-Aminoabieta-8,11,13-Triene Sulfate (CHEBI:188892) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;suluric acid
Manual Xref Database
20556889 ChemSpider
View more database links