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 c1(c(c(c2c(c1[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)oc(cc2=O)c1cc(c(cc1)O)OC)O)[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSpergularia rubra Ref.
PlantaeCaryophyllaceaeStellaria holostea Ref.
PlantaePleuroziaceaePleurozia sp. Ref.
--Bryum pseudotriquetrum Ref.
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