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CHEBI:227843 - 19-hydroxypenitrem E

ChEBI IDCHEBI:227843
ChEBI Name19-hydroxypenitrem E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO7
Net Charge0
Average Mass615.767
Monoisotopic Mass615.31960
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@@]4(O)[C@@H]5OC(C)(C)[C@H]6C[C@@H]7C(=C)Cc8ccc9nc(c5c9c8[C@@]76O)[C@]34C)[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C37H45NO7/c1-16(2)27-26(39)30-37(45-30)22(43-27)10-11-32(6)33(7)28-24-23-20(38-28)9-8-18-14-17(3)19-15-21(36(19,42)25(18)23)31(4,5)44-29(24)34(33,40)12-13-35(32,37)41/h8-9,19,21-22,26-27,29-30,38-42H,1,3,10-15H2,2,4-7H3/t19-,21-,22+,26+,27-,29-,30-,32-,33-,34-,35+,36-,37+/m1/s1
InChIKeyCGFYFJZLBBHYDR-XBTRYVDOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2015.03.017)
ChEBI Ontology
Outgoing Relation(s)
19-hydroxypenitrem E (CHEBI:227843) is a organic heterotricyclic compound (CHEBI:26979)
19-hydroxypenitrem E (CHEBI:227843) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-2,5,9,28-tetrol
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40256803ChemSpider