Ketcher 02151614592D 1 1.00000 0.00000 0 28 30 0 0 0 999 V2000 5.6853 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6853 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5513 -4.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5512 -5.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 -6.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4172 -6.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6851 -7.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -7.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2832 -5.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 -9.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 -9.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -9.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -10.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 -8.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 -10.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 -10.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -8.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -10.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1490 -9.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 1 0 0 0 7 2 1 0 0 0 4 2 2 0 0 0 8 7 2 0 0 0 9 4 1 0 0 0 10 8 1 0 0 0 10 9 2 0 0 0 5 11 2 0 0 0 8 12 1 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 14 17 1 0 0 0 12 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 22 21 1 0 0 0 23 21 2 0 0 0 24 22 2 0 0 0 20 23 1 0 0 0 25 24 1 0 0 0 25 20 2 0 0 0 21 26 1 0 0 0 22 27 1 0 0 0 26 28 1 0 0 0 M END > CHEBI:91201 > guaiacylglycerol beta-scopoletinyl ether > A guaiacyl lignin that is scopoletin in which the phenolic hydrogen is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana. > 3 > G(8-O-4)Scopoletin; 7-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-methoxycoumarin > 7-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-methoxy-2H-1-benzopyran-2-one > C20H20O8 > 388.369 > 388.11582 > 0 > C=1C=2C=C(C(=CC2OC(C1)=O)OC(CO)C(O)C=3C=C(C(=CC3)O)OC)OC > InChI=1S/C20H20O8/c1-25-15-8-12(3-5-13(15)22)20(24)18(10-21)27-17-9-14-11(7-16(17)26-2)4-6-19(23)28-14/h3-9,18,20-22,24H,10H2,1-2H3 > FVMVDYHTVNKQIF-UHFFFAOYSA-N > 28063973 $$$$