input word = C00060552

Metabolite InformationStructural formula
Name 6-Deacetylnimbin
Formula C28H34O8
Mw 498.22536806
CAS RN 18609-16-0
C_ID C00060552
InChIKey CTBHKOAPXBDFPX-UHFFFAOYSA-N
InChICode InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3;InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18+,22-,23+,24-,26-,27+,28-/m1/s1;InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1
SMILES COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C(O)C2C(C)(C(=O)OC)C=CC(=O)C21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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