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CHEBI:208336 - Penitrem H

ChEBI IDCHEBI:208336
ChEBI NamePenitrem H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46ClNO7
Net Charge0
Average Mass664.239
Monoisotopic Mass663.29628
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CCC4(OC)[C@@H]5OC(C)(C)[C@H]6C[C@@H]7C(=C)Cc8c(Cl)cc9nc(c5c9c8[C@@]76O)[C@@]43C)[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C38H46ClNO7/c1-16(2)28-27(41)31-38(47-31)23(45-28)9-10-33(6)34(7)29-25-24-21(40-29)15-20(39)18-13-17(3)19-14-22(37(19,43)26(18)24)32(4,5)46-30(25)35(34,44-8)11-12-36(33,38)42/h15,19,22-23,27-28,30-31,40-43H,1,3,9-14H2,2,4-8H3/t19-,22-,23+,27+,28-,30-,31-,33-,34-,35?,36+,37-,38+/m1/s1
InChIKeyRILCJHRAZWDGDQ-ZRDLXRRKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456250)
ChEBI Ontology
Outgoing Relation(s)
Penitrem H (CHEBI:208336) is a organic heterotricyclic compound (CHEBI:26979)
Penitrem H (CHEBI:208336) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-2-methoxy-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),19,21,29-tetraene-5,9,28-triol
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78441290ChemSpider