| Name |
Acutoside I |
| Formula |
C67H106O33 |
| Mw |
1438.66163592 |
| CAS RN |
136142-34-2 |
| C_ID |
C00038365
, 
|
| InChIKey |
AUWIBYQJUPOTCJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C67H106O33/c1-25-47(94-57-44(81)48(32(72)24-90-57)95-54-40(77)36(73)28(68)20-87-54)50(97-56-42(79)38(75)30(70)22-89-56)46(83)58(92-25)99-52-39(76)31(71)23-91-60(52)100-61(86)67-17-15-62(2,3)19-27(67)26-9-10-34-64(6)13-12-35(63(4,5)33(64)11-14-66(34,8)65(26,7)16-18-67)93-59-45(82)49(43(80)51(98-59)53(84)85)96-55-41(78)37(74)29(69)21-88-55/h9,25,27-52,54-60,68-83H,10-24H2,1-8H3,(H,84,85)/t25-,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-,54+,55+,56+,57+,58-,59-,60-,64-,65+,66+,67-/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)C(=O)O)C)C)C)C(=O)O[C@@H]1OC[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Luffa acutangula  | Ref. |
|
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