input word = C00018631

Metabolite InformationStructural formula
Name Monacolin X
Formula C24H34O6
Mw 418.23553882
CAS RN 96497-73-3
C_ID C00018631 ,
InChIKey NXZRZXCVBJAQDF-UHFFFAOYNA-N
InChICode InChI=1S/C24H34O6/c1-13-9-17-6-5-14(2)20(8-7-19-11-18(26)12-22(27)29-19)23(17)21(10-13)30-24(28)15(3)16(4)25/h5-6,9,13-15,18-21,23,26H,7-8,10-12H2,1-4H3/t13-,14+,15+,18-,19-,20-,21-,23+/m1/s1
SMILES C1[C@@H](C=C2[C@H]([C@@H]1OC(=O)[C@@H](C)C(=O)C)[C@@H]([C@H](C=C2)C)CC[C@@H]1C[C@H](CC(=O)O1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiElaphomycetaceaeMonascus ruber M82121 Ref.
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