input word = C00030534

Metabolite InformationStructural formula
Name Isolappaol C
Formula C30H34O10
Mw 554.21519731
CAS RN 929905-15-7
C_ID C00030534 ,
InChIKey GYDLBAQBIIVPGM-OIWRZCAHNA-N
InChICode InChI=1S/C30H34O10/c1-37-25-11-16(4-6-23(25)32)8-19-15-40-30(36)20(19)9-17-10-21(29(35)27(12-17)39-3)22(14-31)28(34)18-5-7-24(33)26(13-18)38-2/h4-7,10-13,19-20,22,28,31-35H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1
SMILES c1(c(cc(cc1OC)C[C@@H]1[C@H](COC1=O)Cc1ccc(c(c1)OC)O)[C@@H]([C@@H](c1ccc(c(c1)OC)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
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