input word = C00055008

Metabolite InformationStructural formula
Name Chrozophorin
Formula C28H24O13
Mw 568.12169086
CAS RN 943248-34-8
C_ID C00055008
InChIKey VXJALOUMGIURLW-HOZVGSINSA-N
InChICode InChI=1S/C28H24O13/c29-14-4-1-12(2-5-14)20-10-19(33)23-18(32)8-15(9-21(23)40-20)39-28-26(36)25(35)24(34)22(41-28)11-38-27(37)13-3-6-16(30)17(31)7-13/h1-10,22,24-26,28-32,34-36H,11H2/t22-,24-,25+,26-,28-/m1/s1
SMILES O=C(OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeChrozophora tinctoria Ref.
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