input word = C00032719

Metabolite InformationStructural formula
Name Ardisimamilloside D
(-)-Ardisimamilloside D
Formula C53H88O22
Mw 1076.5767245
CAS RN 310396-64-6
C_ID C00032719 ,
InChIKey DKBVPWDHGVCFJZ-NQVACGFMNA-N
InChICode InChI=1S/C53H88O22/c1-23-33(59)37(63)40(66)44(69-23)75-43-39(65)35(61)27(19-55)71-47(43)72-28-20-68-46(42(36(28)62)74-45-41(67)38(64)34(60)26(18-54)70-45)73-32-11-12-50(5)29(48(32,2)3)10-13-51(6)30(50)9-8-24-25-16-49(4,21-56)14-15-53(25,22-57)17-31(58)52(24,51)7/h8,23,25-47,54-67H,9-22H2,1-7H3/t23-,25+,26-,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,49+,50+,51-,52+,53-/m1/s1
SMILES C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC=C7[C@@H]8C[C@@](C)(CO)CC[C@]8(CO)C[C@H](O)[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)[C@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia mamillata HANCE. Ref.
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