input word = C00041417

Metabolite InformationStructural formula
Name Caminoside B
(-)-Caminoside B
Formula C51H90O22
Mw 1054.59237456
CAS RN 876687-39-7
C_ID C00041417 ,
InChIKey HMMLFRBQPRRQSQ-UNPOIURSNA-N
InChICode InChI=1S/C51H90O22/c1-7-10-11-12-13-16-19-24-31(25-20-17-14-15-18-23-28(4)53)67-50-45(41(61)38(58)32(26-52)68-50)72-51-47(73-49-43(63)40(60)37(57)30(6)66-49)46(71-35(55)22-9-3)44(70-34(54)21-8-2)33(69-51)27-64-48-42(62)39(59)36(56)29(5)65-48/h29-33,36-52,56-63H,7-27H2,1-6H3/t29-,30+,31-,32-,33-,36+,37+,38-,39+,40-,41+,42+,43+,44-,45-,46+,47-,48-,49+,50-,51+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CCCCCCCCC)CCCCCCCC(=O)C)CO)O)O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)OC(=O)CCC)OC(=O)CCC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGeodiidaeCaminus sphaeroconia Ref.
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OrganismCaminus sphaeroconia
ReferenceLinington,J.Nat.Prod.,69,(2006),173