input word = C00033429

Metabolite InformationStructural formula
Name Telosmoside A18
Formula C67H112O30
Mw 1396.72384224
CAS RN 343781-77-1
C_ID C00033429 ,
InChIKey BFDVDGCMNOIOFX-AJCTTXABNA-N
InChICode InChI=1S/C67H112O30/c1-14-28(2)60(78)88-33(7)66(79)19-20-67(80)37-16-15-35-21-36(17-18-64(35,9)38(37)22-44(65(66,67)10)89-34(8)70)90-45-23-39(71)54(29(3)84-45)93-46-24-40(81-11)55(30(4)85-46)94-47-25-41(82-12)56(31(5)86-47)95-63-53(77)59(83-13)57(32(6)87-63)96-62-52(76)50(74)58(43(27-69)92-62)97-61-51(75)49(73)48(72)42(26-68)91-61/h28-33,35-59,61-63,68-69,71-77,79-80H,14-27H2,1-13H3/t28-,29-,30-,31-,32-,33+,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,45-,46+,47+,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61+,62+,63+,64+,65-,66-,67+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)OC(=O)C)([C@@](CC2)([C@@H](OC(=O)[C@@H](CC)C)C)O)C)O)C)O[C@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)OC)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTelosma procumbens Ref.
zoom in