input word = C00030706

Metabolite InformationStructural formula
Name Macrophylloside D
Formula C25H34O14
Mw 558.1948558
CAS RN 179457-69-3
C_ID C00030706 ,
InChIKey BKABLXWGRDWHDB-GYRYEVDDNA-N
InChICode InChI=1S/C25H34O14/c1-25(2)5-4-10-6-11(13(34-3)7-12(10)39-25)22(33)38-24-21(32)19(30)17(28)15(37-24)9-35-23-20(31)18(29)16(27)14(8-26)36-23/h4-7,14-21,23-24,26-32H,8-9H2,1-3H3/t14-,15-,16+,17+,18+,19+,20-,21-,23-,24+/m1/s1
SMILES c1(c(cc2c(c1)OC(C=C2)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana macrophylla Ref.
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