input word = C00013806

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->6)-[rhamnosyl-(1->3)-(2''-(E)-p-coumaroylglucoside)]-7-rhamnosyl-(1->3)-rhamnosyl-(1->3)-(4''-(E)-p-coumaroylrhamnoside)
7-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C69H82O36
Mw 1486.45857902
CAS RN 622411-39-6
C_ID C00013806 ,
InChIKey HRAYYNRXNPLKFE-MEEKPLRMNA-N
InChICode InChI=1S/C69H82O36/c1-25-43(77)49(83)53(87)65(92-25)102-59-45(79)27(3)94-68(55(59)89)104-62-56(90)67(95-28(4)57(62)100-40(75)19-9-29-5-13-32(71)14-6-29)96-35-21-36(74)42-37(22-35)97-58(31-11-17-34(73)18-12-31)61(48(42)82)105-69-63(101-41(76)20-10-30-7-15-33(72)16-8-30)60(103-66-54(88)50(84)44(78)26(2)93-66)47(81)39(99-69)24-91-64-52(86)51(85)46(80)38(23-70)98-64/h5-22,25-28,38-39,43-47,49-57,59-60,62-74,77-81,83-90H,23-24H2,1-4H3/b19-9-,20-10+/t25-,26-,27-,28-,38+,39+,43-,44-,45-,46+,47+,49+,50+,51-,52+,53+,54+,55+,56+,57-,59+,60-,62-,63+,64+,65-,66+,67+,68-,69-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)c(cc(c2)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)/C=C\c1ccc(cc1)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaePlanchonia grandis Ref.
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