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CHEBI:211794 - 17-Hydroxycyslabdan A

ChEBI IDCHEBI:211794
ChEBI Name17-Hydroxycyslabdan A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H41NO6S
Net Charge0
Average Mass483.671
Monoisotopic Mass483.26546
SMILESC=C/C(C)=C/C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H](O)[C@@]1(O)[C@@H](O)SC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C25H41NO6S/c1-7-15(2)9-10-18-24(6)12-8-11-23(4,5)19(24)13-20(28)25(18,32)22(31)33-14-17(21(29)30)26-16(3)27/h7,9,17-20,22,28,31-32H,1,8,10-14H2,2-6H3,(H,26,27)(H,29,30)/b15-9+/t17-,18+,19-,20-,22-,24+,25+/m0/s1
InChIKeyMTFOIHQNFFXXRF-XXBLPORFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26507838)
ChEBI Ontology
Outgoing Relation(s)
17-Hydroxycyslabdan A (CHEBI:211794) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R)-3-[(S)-[(1R,2R,3S,4aS,8aS)-2,3-dihydroxy-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-hydroxymethyl]sulanyl-2-acetamidopropanoic acid