input word = C00038324

Metabolite InformationStructural formula
Name 7-Oxomogroside V
Formula C60H100O30
Mw 1300.62994186
CAS RN 942612-72-8
C_ID C00038324 ,
InChIKey KKPUJPQFRHRSKB-SXRDAHBINA-N
InChICode InChI=1S/C60H100O30/c1-22(9-11-34(57(4,5)80)89-55-49(90-54-48(79)42(73)37(68)29(19-63)85-54)44(75)39(70)31(87-55)21-82-52-46(77)41(72)36(67)28(18-62)84-52)23-13-14-58(6)50-26(64)15-25-24(60(50,8)32(65)16-59(23,58)7)10-12-33(56(25,2)3)88-53-47(78)43(74)38(69)30(86-53)20-81-51-45(76)40(71)35(66)27(17-61)83-51/h15,22-24,27-55,61-63,65-80H,9-14,16-21H2,1-8H3/t22-,23-,24-,27-,28-,29-,30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51-,52-,53+,54+,55+,58+,59-,60-/m1/s1
SMILES C1[C@@H](C(C2=CC(=O)[C@@H]3[C@]([C@@H]2C1)([C@@H](C[C@]1([C@]3(CC[C@@H]1[C@@H](CC[C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(C)(C)O)C)C)C)O)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeSiraitia grosvenorii Ref.
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OrganismSiraitia grosvenorii
ReferenceAkihisa,J.Nat.Prod.,70,(2007),783