HMDB0030580 RDKit 3D (R)-Shinanolone 26 27 0 0 0 0 0 0 0 0999 V2000 3.5966 -0.8534 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -0.2556 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 1.0432 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 1.5764 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4823 2.8618 -1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 0.7671 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 -0.5223 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 -1.0244 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.3160 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -0.9423 1.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 -1.0806 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 0.3641 -0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 1.2620 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 2.4985 -0.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 -1.7875 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 -1.1161 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 -0.2111 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 1.6631 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.5173 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -2.0368 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 -2.3859 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 0.0352 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3354 -1.6043 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 -1.6053 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 0.6631 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 0.4898 -1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 8 2 1 0 13 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 5 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 M END