Summary

Molecular formula: C44H56O6
SMILES: C/C(=CCC1=C(O)C(=C(C(=O)C1=O)C)c1oc(cc1CCC/C(=C/Cc1c(O)cc(cc1O)C)/C)C=C(C)C)/CC/C=C(/CCC=C(C)C)C
InChI: InChI=1S/C44H56O6/c1-27(2)13-10-14-29(5)15-11-16-30(6)20-22-37-42(48)40(33(9)41(47)43(37)49)44-34(26-35(50-44)23-28(3)4)18-12-17-31(7)19-21-36-38(45)24-32(8)25-39(36)46/h13,15,19-20,23-26,45-46,48H,10-12,14,16-18,21-22H2,1-9H3/b29-15+,30-20+,31-19+
InChIKey: LCOOCCCTANLRMU-FGESODLRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(c2occc2CCCC=CCc2ccccc2)=CC1=O

Scaffold Graph/Node level:
OC1CCC(C2OCCC2CCCCCCC2CCCCC2)CC1O

Scaffold Graph level:
CC1CCC(C2CCCC2CCCCCCC2CCCCC2)CC1C

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Chemical classification

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

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Synonymous chemical names:
albatrellin

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External chemical identifiers:
CID_16119735; NPATLAS_NPA013151; CHEMSPIDER_17276929

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Chemical structure download