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CHEBI:207465 - Neomacrophorin X

ChEBI IDCHEBI:207465
ChEBI NameNeomacrophorin X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H40O9
Net Charge0
Average Mass628.718
Monoisotopic Mass628.26723
SMILESC=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC1=C(O)C2=C(C[C@@]34C(=O)c5c(O)cc(C)cc5C(=O)[C@]23C=C[C@@H](O)[C@@H]4O)C(=O)C1=O
InChIInChI=1S/C37H40O9/c1-16-12-18-26(23(39)13-16)33(46)37-15-20-27(36(37,31(18)44)11-8-22(38)32(37)45)28(41)19(29(42)30(20)43)14-21-17(2)6-7-24-34(3,4)25(40)9-10-35(21,24)5/h8,11-13,21-22,24-25,32,38-41,45H,2,6-7,9-10,14-15H2,1,3-5H3/t21-,22+,24-,25+,32-,35+,36-,37+/m0/s1
InChIKeySVRNHNGOEMOBSK-ZICMRHECSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - PubMed (28445065)
ChEBI Ontology
Outgoing Relation(s)
Neomacrophorin X (CHEBI:207465) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1R,10R,18R,19R)-13-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4,12,18,19-tetrahydroxy-6-methylpentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,6,11(16),12,20-hexaene-2,9,14,15-tetrone