Name |
Amaranthus-saponin II |
Formula |
C48H74O20 |
Mw |
970.47734481 |
CAS RN |
139742-10-2 |
C_ID |
C00038429
,
|
InChIKey |
MMFXDLCKZVIKRE-WNCPFUMGNA-N |
InChICode |
InChI=1S/C48H74O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,19-20,22-37,39-41,49,51-59H,9-18H2,1-7H3,(H,60,61)/t20-,22-,23-,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,44+,45-,46+,47+,48-/m0/s1 |
SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@]3(C[C@@H]([C@@H]([C@]1(C=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C(=O)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Amaranthaceae | Amaranthus cruentus | Ref. |
Plantae | Amaranthaceae | Amaranthus hypochondriacus | Ref. |
|
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zoom in
Organism | Amaranthus hypochondriacus | Reference | Tan,Phytochem.,52,(1999),153 |
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