input word = C00030250

Metabolite InformationStructural formula
Name Firmacoside A
(-)-Firmacoside A
Formula C31H58O13
Mw 638.38774194
CAS RN 929021-57-8
C_ID C00030250 ,
InChIKey OPUJZSSPKOMRFY-RVGNJNFTNA-N
InChICode InChI=1S/C31H58O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39-29-27(37)24(34)21(18-41-29)44-31-28(38)25(35)22(19-42-31)43-30-26(36)23(33)20(32)17-40-30/h20-38H,2-19H2,1H3/t20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30-,31+/m1/s1
SMILES [C@H]1([C@@H](CO[C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@@H]([C@@H](OC1)O[C@@H]1CO[C@@H]([C@H]([C@H]1O)O)OCCCCCCCCCCCCCCCC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia firma TIX-DUR. Ref.
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