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

ChEBI IDCHEBI:188892
ChEBI Name18-Aminoabieta-8,11,13-Triene Sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N.H2O4S
Net Charge0
Average Mass383.554
Monoisotopic Mass383.21303
SMILESCC(C)c1ccc2c(c1)CCC1[C@](C)(CN)CCC[C@]21C.O=S(=O)(O)O
InChIInChI=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
InChIKeyFDYFHDKFDSGDKM-MGPZMBRGSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
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
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20556889ChemSpider