input word = C00035428

Metabolite InformationStructural formula
Name Woodfordin C
Formula C75H52O48
Mw 1720.16280353
CAS RN 126347-63-5
C_ID C00035428 ,
InChIKey WDXFHUYTXOHJHZ-UHFFFAOYNA-N
InChICode InChI=1S/C75H52O48/c76-13-38-62(119-66(103)16-1-25(77)44(88)26(78)2-16)61-35(87)14-112-69(106)19-7-31(83)47(91)53(97)40(19)43-22(72(109)118-61)12-37(52(96)56(43)100)115-60-24(10-34(86)50(94)58(60)102)74(111)122-65-64(121-67(104)17-3-27(79)45(89)28(80)4-17)63-39(117-75(65)123-68(105)18-5-29(81)46(90)30(82)6-18)15-113-70(107)21-11-36(114-59-23(73(110)116-38)9-33(85)49(93)57(59)101)51(95)55(99)42(21)41-20(71(108)120-63)8-32(84)48(92)54(41)98/h1-13,35,38-39,61-65,75,77-102H,14-15H2/t35-,38-,39+,61+,62+,63-,64-,65-,75+/m0/s1
SMILES [C@@H]12[C@H](O[C@H]3[C@@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c4c(C(=O)OC3)cc(c(c4O)O)Oc3c(c(c(cc3C(=O)O[C@@H](C=O)[C@@H](OC(=O)c3cc(c(c(c3)O)O)O)[C@@H]3OC(=O)c4cc(Oc5c(C(=O)O2)cc(c(c5O)O)O)c(c(c4c2c(cc(c(c2O)O)O)C(=O)OC[C@@H]3O)O)O)O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeCuphea hyssopifolia Ref.
PlantaeLythraceaeWoodfordia fruticosa Ref.
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