input word = C00000646

Metabolite InformationStructural formula
Name (-)-Arctiin
Formula C27H34O11
Mw 534.21011193
CAS RN 20362-31-6
C_ID C00000646 ,
InChIKey XOJVHLIYNSOZOO-XFDQHGLKNA-N
InChICode InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
SMILES O(c1c(cc(cc1)C[C@H]1C(=O)OC[C@@H]1Cc1cc(c(cc1)OC)OC)OC)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
PlantaeAsteraceaeCentaurea americana Ref.
PlantaeAsteraceaeSaussurea medusa Ref.
PlantaeOleaceaeForsythia viridissima Ref.
PlantaeThymelaeaceaeDaphne feddei Ref.
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