input word = C00033016

Metabolite InformationStructural formula
Name Hemeroside A
(-)-Hemeroside A
Formula C38H62O15
Mw 758.40887131
CAS RN 337515-94-3
C_ID C00033016 ,
InChIKey TVGMHKTUAKOVIA-JQRNMONPNA-N
InChICode InChI=1S/C38H62O15/c1-15-13-49-38(11-24(15)50-35-32(47)30(45)29(44)25(12-39)51-35)16(2)26-23(53-38)10-20-18-6-5-17-9-21(40)28(43)33(37(17,4)19(18)7-8-36(20,26)3)52-34-31(46)27(42)22(41)14-48-34/h15-35,39-47H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-/m1/s1
SMILES [C@H]1([C@H](C[C@@H]2[C@]([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]2([C@H]1C)C[C@@H]([C@@H](CO2)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHemerocallidaceaeHemerocallis fulva var.kwanso Ref.
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OrganismHemerocallis fulva var.kwanso
ReferenceKonishi,Chem.Pharm.Bull.,49,(2001),318