input word = C00060213

Metabolite InformationStructural formula
Name Indicalilacol A
Formula C31H48O6
Mw 516.34508926
CAS RN 1622077-07-9
C_ID C00060213
InChIKey KRJUHYREONDLND-CWZXLJNESA-N
InChICode InChI=1S/C31H48O6/c1-26(2)20-16-23-31(37-23)29(6,19(20)9-10-22(26)32)14-13-28(5)18(11-12-30(28,31)7)17-15-21(36-25(17)35-8)24(33)27(3,4)34/h17-18,21,23-25,33-34H,9-16H2,1-8H3/t17-,18-,21+,23+,24?,25+,28-,29-,30-,31+/m0/s1
SMILES COC1OC(C(O)C(C)(C)O)CC1C1CCC2(C)C1(C)CCC1(C)C3=C(CC4OC412)C(C)(C)C(=O)CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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