Summary

Molecular formula: C23H28O8
SMILES: O=CC1=C[C@]2(O)CC([C@@H]([C@@H]2[C@@]2([C@@]1(O)[C@H](OC(=O)c1c(C)cc(cc1O)O)C2)C)O)(C)C
InChI: InChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3/t15-,17-,18-,21-,22+,23+/m1/s1
InChIKey: BYWJNFQCWYEWHX-KLMFUOAUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CC2C1C=CC1CCCC12)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CC2C3CCCC3CCC12)C1CCCCC1

Scaffold Graph level:
CC(CC1CC2C3CCCC3CCC12)C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
melledonal

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External chemical identifiers:
CID_190618; CAS_103847-15-0; NPATLAS_NPA012433; CHEMSPIDER_28570341; ZINC_ZINC000031518351

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Chemical structure download