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CHEBI:227850 - Hypocriol D

ChEBI IDCHEBI:227850
ChEBI NameHypocriol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O7
Net Charge0
Average Mass556.740
Monoisotopic Mass556.34000
SMILESCO[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H]3[C@H](C)C[C@H](OC(C)=O)[C@H]4C(C)(C)C[C@@]2(C)[C@@]34O)[C@@]2(C)CC(C)(C)c3ccc(C)c1c32
InChIInChI=1S/C33H48O7/c1-16-11-12-19-23-21(16)27(37-10)40-28(31(23,8)14-29(19,4)5)39-26-24(35)22-17(2)13-20(38-18(3)34)25-30(6,7)15-32(26,9)33(22,25)36/h11-12,17,20,22,24-28,35-36H,13-15H2,1-10H3/t17-,20+,22-,24-,25+,26+,27+,28-,31+,32-,33-/m1/s1
InChIKeyPBKZIJVPGCDCOR-CTTWNACISA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies (ncbitaxon:1715253) - PubMed (27328173)
ChEBI Ontology
Outgoing Relation(s)
Hypocriol D (CHEBI:227850) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,3R,4R,7R,8S,10R,11R)-2,11-dihydroxy-3-[[(4S,5R,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-5-yl]oxy]-4,6,6,10-tetramethyl-8-tricyclo[5.3.1.04,11]undecanyl] acetate
Manual XrefsDatabases
76776593ChemSpider