input word = C00040075

Metabolite InformationStructural formula
Name Prosapogenin-10
Formula C92H148O46
Mw 1988.92417735
CAS RN 186428-64-8
C_ID C00040075 ,
InChIKey NHHDUOJRHDRYOE-VLZFPQGANA-N
InChICode InChI=1S/C92H148O46/c1-14-88(10,138-81-68(116)59(107)51(99)35(3)123-81)21-15-16-38(28-93)75(118)130-49-27-92(85(119)137-84-74(62(110)55(103)43(30-95)128-84)136-80-69(117)71(133-77-66(114)58(106)50(98)34(2)122-77)70(37(5)125-80)132-78-65(113)56(104)44(31-96)127-78)25-24-90(12)39(40(92)26-86(49,6)7)17-18-47-89(11)22-20-48(87(8,9)46(89)19-23-91(47,90)13)131-83-73(135-79-67(115)60(108)54(102)42(29-94)126-79)63(111)57(105)45(129-83)33-121-82-72(61(109)52(100)36(4)124-82)134-76-64(112)53(101)41(97)32-120-76/h14,16-17,34-37,40-74,76-84,93-117H,1,15,18-33H2,2-13H3/b38-16+/t34-,35-,36-,37+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,76+,77+,78+,79+,80+,81+,82-,83+,84+,88-,89+,90-,91-,92-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(C[C@@H](C(C1)(C)C)OC(=O)/C(=C/CC[C@@](C=C)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)C)/CO)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePithecellobium lucidum Ref.
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