input word = C00006285

Metabolite InformationStructural formula
Name Stellarin 2
Formula C28H32O16
Mw 624.16903498
CAS RN 63975-58-6
C_ID C00006285 ,
InChIKey AXXQQGBQPBSIBA-JMAKMEHVNA-N
InChICode InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3/t13-,14-,18+,19+,22-,23-,24-,25-,27-,28-/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSpergularia rubra Ref.
PlantaeCaryophyllaceaeStellaria holostea Ref.
PlantaePleuroziaceaePleurozia sp. Ref.
PlantaeRutaceaeCitrus paradisi Ref.
--Bryum pseudotriquetrum Ref.
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