input word = C00063910

Metabolite InformationStructural formula
Name Macrophyllicin
Formula C54H88O24
Mw 1120.56655374
CAS RN 149474-93-1
C_ID C00063910
InChIKey CDYAORBMMPRWHL-XOJINRSKSA-N
InChICode InChI=1S/C54H88O24/c1-21-30(60)33(63)36(66)45(71-21)75-40-39(69)41(76-48(78-47-38(68)35(65)32(62)26(19-56)73-47)42(40)77-46-37(67)34(64)31(61)25(18-55)72-46)44(70)74-29-11-12-51(6)27-10-9-22-23-15-49(2,3)13-14-54(23,20-57)28(59)17-52(22,7)53(27,8)16-24(58)43(51)50(29,4)5/h9,21,23-43,45-48,55-69H,10-20H2,1-8H3/t21-,23+,24-,25+,26+,27?,28-,29?,30-,31+,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43?,45-,46+,47+,48+,51+,52+,53+,54+/m0/s1
SMILES CC1OC(OC2C(O)C(C(=O)OC3CCC4(C)C(C(O)CC5(C)C4CC=C4C6CC(C)(C)CCC6(CO)C(O)CC45C)C3(C)C)OC(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula macrophylla Ref.
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