(Q105262848)

English

Fasciculic acid B

group of stereoisomers with the chemical formula C₃₆H₆₀O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

636.4237335 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₀O₉

0 references

canonical SMILES

O=C(O)CC(O)(C)CC(=O)OC1CC2(C3=C(CCC2C(C)(C)C1O)C4(C)CCC(C(C)CCC(O)C(O)(C)C)C4(C)C(O)C3)C

0 references

found in taxon

Hypholoma fasciculare

1 reference

stated in

Lanostane triterpenoids from the mushroom Naematoloma fasciculare

Identifiers

InChI

InChI=1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)

0 references

InChIKey

SWRXIGFQDQTNKP-UHFFFAOYSA-N

0 references

CAS Registry Number

126882-55-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

10 May 2023

inferred from InChIKey

matched by identifier from

InChIKey

SWRXIGFQDQTNKP-UHFFFAOYSA-N

ChEBI ID

184011

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)

1 reference

Human Metabolome Database ID

HMDB0036438

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SWRXIGFQDQTNKP-UHFFFAOYSA-N

(Q105262848)

Fasciculic acid B

Statements

Identifiers

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