input word = C00058056

Metabolite InformationStructural formula
Name Squamoxinone B
Formula C37H68O7
Mw 624.49650453
CAS RN 255901-21-4
C_ID C00058056
InChIKey JQYLOYZQPAYVNC-QUHHCSAVSA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30?,31?,32-,33?,34?,35?,36?/m0/s1
SMILES CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCC(O)CCCCCC[C@H]2CC(CC(C)=O)C(=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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