input word = C00060481

Metabolite InformationStructural formula
Name [2aR-[2aalpha,3beta,4beta(1aR*,2S*,3aS*,6aS*,7S*,7aS*),4abeta,5alpha,7aS*,8beta,10beta(E),10aalpha,10bbeta]]-Octahydro-3,5,8-trihydroxy-4-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-4-(3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylic acid, dimethyl ester
Formula C33H42O15
Mw 678.25237067
CAS RN 181298-69-1
C_ID C00060481
InChIKey KAJFOBKSQVMLSY-SEBWSFJVSA-N
InChICode InChI=1S/C33H42O15/c1-7-14(2)22(36)46-17-11-16(34)29-13-45-32(40,25(38)42-6)23(29)27(3,21(35)19-20(29)30(17,12-44-19)24(37)41-5)33-18-10-15(28(33,4)48-33)31(39)8-9-43-26(31)47-18/h7-9,15-21,23,26,34-35,39-40H,10-13H2,1-6H3/b14-7+/t15-,16+,17-,18+,19-,20-,21-,23+,26+,27-,28+,29+,30+,31+,32+,33+/m1/s1
SMILES CC=C(C)C(=O)OC1CC(O)C23COC(O)(C(=O)OC)C2C(C)(C24OC2(C)C2CC4OC4OC=CC42O)C(O)C2OCC1(C(=O)OC)C23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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OrganismAzadirachta indica
Referencehttps://doi.org/10.1016/0031-9422(96)00226-9