input word = C00058515

Metabolite InformationStructural formula
Name Hirsunin
Formula C65H56O36
Mw 1412.25512819
CAS RN 142705-63-3
C_ID C00058515
InChIKey MEQXJCGTBZBKDV-UHFFFAOYSA-N
InChICode InChI=1S/C65H56O36/c66-17-40-59(101-63(92)26-14-34(73)46(78)52(84)42(26)41-24(61(90)99-40)12-32(71)45(77)51(41)83)58-37(76)19-94-60(89)27-16-39(50(82)54(86)44(27)43-25(62(91)100-58)13-33(72)47(79)53(43)85)97-57-28(15-35(74)48(80)55(57)87)64(93)98-38-8-4-21(10-31(38)70)2-6-23(96-65-56(88)49(81)36(75)18-95-65)11-22(67)5-1-20-3-7-29(68)30(69)9-20/h3-4,7-10,12-17,23,36-37,40,49,56,58-59,65,68-88H,1-2,5-6,11,18-19H2
SMILES O=CC1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(Oc3c(C(=O)Oc4ccc(CCC(CC(=O)CCc5ccc(O)c(O)c5)OC5OCC(O)C(O)C5O)cc4O)cc(O)c(O)c3O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeAlnus hirsuta var. microphylla Ref.
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