input word = C00033427

Metabolite InformationStructural formula
Name Telosmoside A16
(+)-Telosmoside A16
Formula C67H112O29
Mw 1380.72892762
CAS RN 343781-75-9
C_ID C00033427 ,
InChIKey QGZYLJUBJATVFW-DGHZFGOJNA-N
InChICode InChI=1S/C67H112O29/c1-14-29(2)61(77)87-34(7)66(78)19-20-67(79)38-16-15-36-21-37(17-18-64(36,9)39(38)22-46(65(66,67)10)88-35(8)70)89-47-23-40(71)56(30(3)83-47)92-48-24-41(80-11)57(31(4)84-48)93-49-25-42(81-12)58(32(5)85-49)94-50-26-43(82-13)59(33(6)86-50)95-63-55(76)53(74)60(45(28-69)91-63)96-62-54(75)52(73)51(72)44(27-68)90-62/h29-34,36-60,62-63,68-69,71-76,78-79H,14-28H2,1-13H3/t29-,30-,31-,32-,33-,34+,36+,37+,38-,39+,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,50+,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,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]1C[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)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTelosma procumbens Ref.
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OrganismTelosma procumbens
ReferenceHuan,Chem.Pharm.Bull.,49,(2001),453