input word = C00016326

Metabolite InformationStructural formula
Name F 10863B
Formula C42H52O14
Mw 780.33570637
CAS RN 191474-82-5
C_ID C00016326 ,
InChIKey UMRSLRVBTJSMDE-WORADENKNA-N
InChICode InChI=1S/C42H52O14/c1-28(18-16-24-31-22-13-9-14-23-31)32(53-29(2)43)25-17-27-40-34(45)35(42(56-40,39(49)50)41(51,38(47)48)36(55-40)37(46)52-3)54-33(44)26-15-7-5-4-6-10-19-30-20-11-8-12-21-30/h8-14,16,19-24,28,32,34-36,45,51H,4-7,15,17-18,25-27H2,1-3H3,(H,47,48)(H,49,50)/b19-10+,24-16+/t28-,32-,34-,35+,36-,40-,41+,42-/m0/s1
SMILES [C@@]12([C@]([C@@H](O[C@@]([C@H]([C@H]1OC(=O)CCCCCC/C=C/c1ccccc1)O)(CCC[C@@H]([C@H](C/C=C/c1ccccc1)C)OC(=O)C)O2)C(=O)OC)(O)C(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDermateaceaeMollisia sp. SANK 10294 Ref.
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