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CHEBI:227942 - Rhizovarin D

ChEBI IDCHEBI:227942
ChEBI NameRhizovarin D
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SubmitterMetaboLights
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FormulaC38H51NO5
Net Charge0
Average Mass601.828
Monoisotopic Mass601.37672
SMILESC=C(C)[C@H]1C[C@H](C(C)(C)O)[C@H]1c1cccc2c1C(=O)C[C@@H]1CC[C@@]3(O)C4=C[C@@H](O)[C@@H](C(=C)C)C[C@H]4CC[C@]3(C)[C@@]1(C)C(=O)N2
InChIInChI=1S/C38H51NO5/c1-20(2)25-16-22-12-14-36(7)37(8)23(13-15-38(36,44)27(22)19-30(25)40)17-31(41)33-24(10-9-11-29(33)39-34(37)42)32-26(21(3)4)18-28(32)35(5,6)43/h9-11,19,22-23,25-26,28,30,32,40,43-44H,1,3,12-18H2,2,4-8H3,(H,39,42)/t22-,23+,25-,26-,28+,30-,32+,36-,37-,38-/m1/s1
InChIKeyAFDVDYAFHXSLEK-OPQRZYFNSA-N
Species of MetaboliteComponentSourceComments
Mucor (ncbitaxon:4830) - PubMed (27462726)
ChEBI Ontology
Outgoing Relation(s)
Rhizovarin D (CHEBI:227942) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2R,5R,7R,8R,11R,14S)-8,11-dihydroxy-18-[(1S,2S,4S)-2-(2-hydroxypropan-2-yl)-4-prop-1-en-2-ylcyclobutyl]-1,2-dimethyl-7-prop-1-en-2-yl-23-azapentacyclo[12.10.0.02,11.05,10.017,22]tetracosa-9,17,19,21-tetraene-16,24-dione
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78441613ChemSpider