input word = C00053960

Metabolite InformationStructural formula
Name Camellianin A
Formula C29H32O15
Mw 620.17412036
CAS RN 109232-77-1
C_ID C00053960
InChIKey RHJULGLSOARXMO-UXPKLMLYSA-N
InChICode InChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25+,26+,27+,28?,29+/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)[C@H](O)[C@@H](O)[C@@H]1OC1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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